(3R,4R,5R)-5-(HYDROXYMETHYL)-1-(3-PHENYLPROPYL)PIPERIDINE-3,4-DIOL
Thuốc Gốc
Small Molecule
CTHH: C15H23NO3
PTK: 265.348
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
265.348
Monoisotopic mass
265.167793607
InChI
InChI=1S/C15H23NO3/c17-11-13-9-16(10-14(18)15(13)19)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-15,17-19H,4,7-11H2/t13-,14-,15-/m1/s1
InChI Key
InChIKey=NKARZGURZMIRMA-RBSFLKMASA-N
IUPAC Name
(3R,4R,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
Traditional IUPAC Name
(3R,4R,5R)-5-(hydroxymethyl)-1-(3-phenylpropyl)piperidine-3,4-diol
SMILES
[H][C@@]1(O)CN(CCCC2=CC=CC=C2)C[C@]([H])(CO)[C@@]1([H])O
Độ hòa tan
1.03e+01 g/l
logP
0.58
logS
-1.4
pKa (strongest acidic)
13.51
pKa (Strongest Basic)
8.69
PSA
63.93 Å2
Refractivity
74.76 m3·mol-1
Polarizability
30.05 Å3
Rotatable Bond Count
5
H Bond Acceptor Count
4
H Bond Donor Count
3
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading