N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine

C21H26N2O — CID 72815918

IUPACN-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine
SMILESCON=C(CCN1CCCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-24-22-21(19-11-6-3-7-12-19)14-16-23-15-8-13-20(17-23)18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3
InChIKeySVHLWOPOJRKVPF-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.31
Rot. Bonds6

About N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine

N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine (PubChem CID 72815918) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound NameN-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine
PubChem CID72815918
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine
SMILESCON=C(CCN1CCCC(c2ccccc2)C1)c1ccccc1
InChIInChI=1S/C21H26N2O/c1-24-22-21(19-11-6-3-7-12-19)14-16-23-15-8-13-20(17-23)18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3
InChIKeySVHLWOPOJRKVPF-UHFFFAOYSA-N
XLogP4.31
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.31
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

1-(4-chlorophenyl)-N-methoxy-3-(3-pyridin-2-ylpiperidin-1-yl)propan-1-imine
CID 73081244
3-phenyl-1-propylpiperidine
CID 12937946
4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 745591
3-[(3S)-3-phenylpyrrolidin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 1145568
(3R)-1-[2-[(Z)-1-phenyloctylideneamino]oxyethyl]piperidine-3-carboxylic acid
CID 86750440
3-[(3R)-1-[2-(3-methoxyphenoxy)ethyl]piperidin-3-yl]benzoic acid
CID 97187424
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
CID 54564163

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine?
The IUPAC name of N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine (CID 72815918) is N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine.
What is the SMILES notation for N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine?
The canonical SMILES for N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine is CON=C(CCN1CCCC(c2ccccc2)C1)c1ccccc1.
What is the InChIKey of N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine?
The InChIKey is SVHLWOPOJRKVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-24-22-21(19-11-6-3-7-12-19)14-16-23-15-8-13-20(17-23)18-9-4-2-5-10-18/h2-7,9-12,20H,8,13-17H2,1H3.
What are the key properties of N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine?
N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine has a molecular weight of 322.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-phenyl-3-(3-phenylpiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 72815918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).