Tìm theo
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
Thuốc Gốc
Small Molecule
CTHH: C16H18N2O2
PTK: 270.3263
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C16H18N2O2
Phân tử khối
270.3263
Monoisotopic mass
270.13682783
InChI
InChI=1S/C16H18N2O2/c19-16(20)18-7-5-12(6-8-18)9-13-10-14-3-1-2-4-15(14)17-11-13/h1-4,10-12H,5-9H2,(H,19,20)
InChI Key
InChIKey=QUAGUFNCKDDJFZ-UHFFFAOYSA-N
IUPAC Name
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
Traditional IUPAC Name
4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
SMILES
OC(=O)N1CCC(CC2=CN=C3C=CC=CC3=C2)CC1
Độ hòa tan
8.86e-02 g/l
logP
1.79
logS
-3.5
pKa (strongest acidic)
4.06
pKa (Strongest Basic)
4.92
PSA
53.43 Å2
Refractivity
76.42 m3·mol-1
Polarizability
29.33 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
1
Physiological Charge
-1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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