1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine

C20H24ClN3O — CID 73081244

IUPAC1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine
SMILESCON=C(CCN1CCCC(c2ccccn2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-25-23-20(16-7-9-18(21)10-8-16)11-14-24-13-4-5-17(15-24)19-6-2-3-12-22-19/h2-3,6-10,12,17H,4-5,11,13-15H2,1H3
InChIKeyXZPJJFLDLIWHRV-UHFFFAOYSA-N
MW357.89 g/mol
LogP4.36
Rot. Bonds6

About 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine

1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine (PubChem CID 73081244) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine
PubChem CID73081244
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine
SMILESCON=C(CCN1CCCC(c2ccccn2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O/c1-25-23-20(16-7-9-18(21)10-8-16)11-14-24-13-4-5-17(15-24)19-6-2-3-12-22-19/h2-3,6-10,12,17H,4-5,11,13-15H2,1H3
InChIKeyXZPJJFLDLIWHRV-UHFFFAOYSA-N
XLogP4.36
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine
CID 72815918
1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)prop-1-en-1-amine
CID 91385951
(E)-1-(3,4-dimethylphenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 11221906
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
5-[(4-chlorophenyl)methyl]-2-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyridine
CID 125027075
N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 72966378
5-[(4-chlorophenyl)methyl]-2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]pyridine
CID 110093308
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280
(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267189
2-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]ethanol
CID 73440472
N-[[2-(methoxymethyl)phenyl]methyl]-6-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92622012

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
The IUPAC name of 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine (CID 73081244) is 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine is CON=C(CCN1CCCC(c2ccccn2)C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
The InChIKey is XZPJJFLDLIWHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-25-23-20(16-7-9-18(21)10-8-16)11-14-24-13-4-5-17(15-24)19-6-2-3-12-22-19/h2-3,6-10,12,17H,4-5,11,13-15H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine?
1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine has a molecular weight of 357.89 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 73081244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).