1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol

C17H21ClN2O — CID 115874196

IUPAC1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol
SMILESCc1ccc2cc(CN3CCCC(C)(O)C3)c(Cl)nc2c1
InChIInChI=1S/C17H21ClN2O/c1-12-4-5-13-9-14(16(18)19-15(13)8-12)10-20-7-3-6-17(2,21)11-20/h4-5,8-9,21H,3,6-7,10-11H2,1-2H3
InChIKeyPTXOMCRPWPENRV-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.54
Rot. Bonds2

About 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol

1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol (PubChem CID 115874196) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol
PubChem CID115874196
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol
SMILESCc1ccc2cc(CN3CCCC(C)(O)C3)c(Cl)nc2c1
InChIInChI=1S/C17H21ClN2O/c1-12-4-5-13-9-14(16(18)19-15(13)8-12)10-20-7-3-6-17(2,21)11-20/h4-5,8-9,21H,3,6-7,10-11H2,1-2H3
InChIKeyPTXOMCRPWPENRV-UHFFFAOYSA-N
XLogP3.54
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol
CID 60661917
1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde
CID 62654035
(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
CID 81491962
(3S)-1-[[6-(4-chlorophenyl)-[1,3]dioxolo[4,5-g]quinolin-7-yl]methyl]-3-methylpiperidin-3-ol
CID 95893706
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79874159
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol
CID 113343970
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79994339
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyridin-2-one
CID 90985840
3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 115874101

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol (CID 115874196) is 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol is Cc1ccc2cc(CN3CCCC(C)(O)C3)c(Cl)nc2c1.
What is the InChIKey of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol?
The InChIKey is PTXOMCRPWPENRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12-4-5-13-9-14(16(18)19-15(13)8-12)10-20-7-3-6-17(2,21)11-20/h4-5,8-9,21H,3,6-7,10-11H2,1-2H3.
What are the key properties of 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol?
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol has a molecular weight of 304.82 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 115874196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).