[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol

C17H21ClN2O — CID 60661917

IUPAC[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol
SMILESCc1ccc2cc(CN3CCCC(CO)C3)c(Cl)nc2c1
InChIInChI=1S/C17H21ClN2O/c1-12-4-5-14-8-15(17(18)19-16(14)7-12)10-20-6-2-3-13(9-20)11-21/h4-5,7-8,13,21H,2-3,6,9-11H2,1H3
InChIKeyOBXDCYOETYACOV-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.40
Rot. Bonds3

About [1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol

[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol (PubChem CID 60661917) 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]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol
PubChem CID60661917
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol
SMILESCc1ccc2cc(CN3CCCC(CO)C3)c(Cl)nc2c1
InChIInChI=1S/C17H21ClN2O/c1-12-4-5-14-8-15(17(18)19-16(14)7-12)10-20-6-2-3-13(9-20)11-21/h4-5,7-8,13,21H,2-3,6,9-11H2,1H3
InChIKeyOBXDCYOETYACOV-UHFFFAOYSA-N
XLogP3.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.40
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

(3S)-1-[(2-chloro-7-methylquinolin-3-yl)methyl]pyrrolidin-3-amine
CID 81491962
1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidine-3-carbaldehyde
CID 62654035
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-4-amine
CID 79874159
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-3-methylpiperidin-3-ol
CID 115874196
1-[(2-chloro-7-methylquinolin-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79994339
[4-[(2-chloro-7-methylquinolin-3-yl)methyl]piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 51923514
ethyl (3R)-1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]piperidine-3-carboxylate
CID 26201452
1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63902353
[1-[[2-(3-methylphenyl)sulfanylphenyl]methyl]piperidin-3-yl]methanol
CID 50852233
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678
methyl 4-chloro-3-[[3-(hydroxymethyl)piperidin-1-yl]methyl]benzoate
CID 110027496

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol (CID 60661917) is [1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol is Cc1ccc2cc(CN3CCCC(CO)C3)c(Cl)nc2c1.
What is the InChIKey of [1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is OBXDCYOETYACOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12-4-5-14-8-15(17(18)19-16(14)7-12)10-20-6-2-3-13(9-20)11-21/h4-5,7-8,13,21H,2-3,6,9-11H2,1H3.
What are the key properties of [1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol?
[1-[(2-chloro-7-methylquinolin-3-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 304.82 g/mol, XLogP of 3.40, 3 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]piperidin-3-yl]methanol is sourced from PubChem (CID 60661917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).