5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine

C25H26ClNO — CID 102434786

IUPAC5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine
SMILESCOc1ccc(CN2CC(Cl)CC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C25H26ClNO/c1-28-24-14-12-20(13-15-24)17-27-18-23(26)16-25(19-27,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23H,16-19H2,1H3
InChIKeyFTMYVJKIOIMQRW-UHFFFAOYSA-N
MW391.94 g/mol
LogP5.49
Rot. Bonds5

About 5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine

5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine (PubChem CID 102434786) has the molecular formula C25H26ClNO and a molecular weight of 391.94 g/mol. Its IUPAC name is 5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine.

Molecular Properties

Compound Name5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine
PubChem CID102434786
Molecular FormulaC25H26ClNO
Molecular Weight391.94 g/mol
Exact Mass391.17
IUPAC Name5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine
SMILESCOc1ccc(CN2CC(Cl)CC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C25H26ClNO/c1-28-24-14-12-20(13-15-24)17-27-18-23(26)16-25(19-27,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23H,16-19H2,1H3
InChIKeyFTMYVJKIOIMQRW-UHFFFAOYSA-N
XLogP5.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.94
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 121207278
(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 129349125
1-[6-[(4-methoxyphenyl)methyl]-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-1-yl]ethanone
CID 131643867
(4R)-2-[(4-methoxyphenyl)methyl]-2-azaspiro[4.5]decane-4-carboxylic acid
CID 51440155
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572
1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 68708591
3-fluoro-1-[(4-methoxyphenyl)methyl]azetidine
CID 135395442
5-[(4-methoxyphenyl)methyl]-6a-methyl-3,3a,4,6-tetrahydro-1H-pyrrolo[3,4-c][1,2]oxazole
CID 155315514
1-[(9aR)-2-[(4-methoxyphenyl)methyl]-4,4-dimethyl-1,3,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-8-yl]-3-phenylpropan-1-one
CID 124873323
dibenzyl (1S,5R)-3-[(4-methoxyphenyl)methyl]-3,6,7-triazabicyclo[3.2.1]octane-6,7-dicarboxylate
CID 73057854
(2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine
CID 102380045
lithium;3-[[3,3-bis(4-methoxyphenyl)piperidin-1-yl]methyl]benzoic acid;hydride
CID 173126199

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine?
The IUPAC name of 5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine (CID 102434786) is 5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine.
What is the SMILES notation for 5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine?
The canonical SMILES for 5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine is COc1ccc(CN2CC(Cl)CC(c3ccccc3)(c3ccccc3)C2)cc1.
What is the InChIKey of 5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine?
The InChIKey is FTMYVJKIOIMQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO/c1-28-24-14-12-20(13-15-24)17-27-18-23(26)16-25(19-27,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,23H,16-19H2,1H3.
What are the key properties of 5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine?
5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine has a molecular weight of 391.94 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-methoxyphenyl)methyl]-3,3-diphenylpiperidine is sourced from PubChem (CID 102434786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).