(Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine

C21H25ClN2O — CID 11405627

IUPAC(Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCCC(c2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c1-25-23-21(18-9-11-20(22)12-10-18)13-15-24-14-5-8-19(16-24)17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3/b23-21-
InChIKeyNTXUJYMIMWLVIS-LNVKXUELSA-N
MW356.90 g/mol
LogP4.96
Rot. Bonds6

About (Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine

(Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine (PubChem CID 11405627) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine
PubChem CID11405627
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name(Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine
SMILESCO/N=C(/CCN1CCCC(c2ccccc2)C1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O/c1-25-23-21(18-9-11-20(22)12-10-18)13-15-24-14-5-8-19(16-24)17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3/b23-21-
InChIKeyNTXUJYMIMWLVIS-LNVKXUELSA-N
XLogP4.96
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(R)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-6-one O-methyl-oxime
CID 44290811
(S)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-6-one O-methyl-oxime
CID 44291112
3-(4-chlorophenyl)-1-ethyl-4-phenyl-4,5-dihydro-1H-pyrazole
CID 11842292
(R)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-6-one O-tert-butyl-oxime
CID 44290810
(Z,4S)-4-(4-chlorophenyl)-N-methoxy-1-azabicyclo[3.2.1]octan-6-imine
CID 44291102
(R)-4-(4-Chloro-phenyl)-1-aza-bicyclo[3.2.1]octan-6-one O-(3-phenyl-propyl)-oxime
CID 44291164
(E,4R)-4-(4-chlorophenyl)-N-methoxy-1-azabicyclo[3.2.1]octan-6-imine
CID 44291180
3-(4-chlorophenyl)-1-methyl-4-phenyl-4,5-dihydro-1H-pyrazole
CID 11842294
Ethanone, 1-(4-chlorophenyl)-, O-(2-(1-piperidinyl)ethyl)oxime, hydrochloride
CID 6510003
1-(4-chlorophenyl)-2-piperidino-1-ethanone O-methyloxime
CID 5920297
4-(4-chlorophenyl)-N-methoxy-1-azabicyclo[3.2.1]octan-6-imine
CID 49824095
Benzaldehyde, p-chloro-, O-(2-(4-phenethyl-1-piperazinyl)ethyl)oxime, dihydrochloride, (E)-
CID 9570695

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine (CID 11405627) is (Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine is CO/N=C(/CCN1CCCC(c2ccccc2)C1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine?
The InChIKey is NTXUJYMIMWLVIS-LNVKXUELSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-25-23-21(18-9-11-20(22)12-10-18)13-15-24-14-5-8-19(16-24)17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3/b23-21-.
What are the key properties of (Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine?
(Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine has a molecular weight of 356.90 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 11405627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).