1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine

C16H24ClN — CID 92967695

IUPAC1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine
SMILESCCC[C@H](c1ccc(Cl)cc1)N1CCC(C)CC1
InChIInChI=1S/C16H24ClN/c1-3-4-16(14-5-7-15(17)8-6-14)18-11-9-13(2)10-12-18/h5-8,13,16H,3-4,9-12H2,1-2H3/t16-/m1/s1
InChIKeyVGCISOSZBRAJAZ-MRXNPFEDSA-N
MW265.83 g/mol
LogP4.91
Rot. Bonds4

About 1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine

1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine (PubChem CID 92967695) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine
PubChem CID92967695
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine
SMILESCCC[C@H](c1ccc(Cl)cc1)N1CCC(C)CC1
InChIInChI=1S/C16H24ClN/c1-3-4-16(14-5-7-15(17)8-6-14)18-11-9-13(2)10-12-18/h5-8,13,16H,3-4,9-12H2,1-2H3/t16-/m1/s1
InChIKeyVGCISOSZBRAJAZ-MRXNPFEDSA-N
XLogP4.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
CID 92967683
1-[1-(4-chlorophenyl)propyl]-4-methylpiperidine;hydrochloride
CID 3056499
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355
1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
CID 119908754
ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504371
1-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]butan-1-amine
CID 63454919
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine
CID 63624404
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
1-[(1R)-1-(3-chloro-4-fluorophenyl)butyl]piperazine;hydrochloride
CID 171168852

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine (CID 92967695) is 1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine is CCC[C@H](c1ccc(Cl)cc1)N1CCC(C)CC1.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine?
The InChIKey is VGCISOSZBRAJAZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-4-16(14-5-7-15(17)8-6-14)18-11-9-13(2)10-12-18/h5-8,13,16H,3-4,9-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine?
1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine has a molecular weight of 265.83 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine is sourced from PubChem (CID 92967695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).