(3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol

C15H17ClN2O — CID 97258754

IUPAC(3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol
SMILESCc1c(Cl)ccc2ccc(N3CCC[C@H](O)C3)nc12
InChIInChI=1S/C15H17ClN2O/c1-10-13(16)6-4-11-5-7-14(17-15(10)11)18-8-2-3-12(19)9-18/h4-7,12,19H,2-3,8-9H2,1H3/t12-/m0/s1
InChIKeySKYFSKBCOPSRAB-LBPRGKRZSA-N
MW276.77 g/mol
LogP3.16
Rot. Bonds1

About (3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol

(3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol (PubChem CID 97258754) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is (3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol
PubChem CID97258754
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name(3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol
SMILESCc1c(Cl)ccc2ccc(N3CCC[C@H](O)C3)nc12
InChIInChI=1S/C15H17ClN2O/c1-10-13(16)6-4-11-5-7-14(17-15(10)11)18-8-2-3-12(19)9-18/h4-7,12,19H,2-3,8-9H2,1H3/t12-/m0/s1
InChIKeySKYFSKBCOPSRAB-LBPRGKRZSA-N
XLogP3.16
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide
CID 97258760
5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 128563921
2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol
CID 133437520
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806
1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 62943778
(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
CID 102750356
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61435325
6-(7-chloro-8-methylquinolin-2-yl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-5-carboxylic acid
CID 167978033
(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
CID 107225336

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol (CID 97258754) is (3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol is Cc1c(Cl)ccc2ccc(N3CCC[C@H](O)C3)nc12.
What is the InChIKey of (3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol?
The InChIKey is SKYFSKBCOPSRAB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-13(16)6-4-11-5-7-14(17-15(10)11)18-8-2-3-12(19)9-18/h4-7,12,19H,2-3,8-9H2,1H3/t12-/m0/s1.
What are the key properties of (3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol?
(3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol has a molecular weight of 276.77 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol is sourced from PubChem (CID 97258754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).