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

C15H22ClN — CID 92967683

IUPAC1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
SMILESCC[C@H](c1ccc(Cl)cc1)N1CCC(C)CC1
InChIInChI=1S/C15H22ClN/c1-3-15(13-4-6-14(16)7-5-13)17-10-8-12(2)9-11-17/h4-7,12,15H,3,8-11H2,1-2H3/t15-/m1/s1
InChIKeyQZRJCABGNCQRKD-OAHLLOKOSA-N
MW251.80 g/mol
LogP4.52
Rot. Bonds3

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

1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine (PubChem CID 92967683) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
PubChem CID92967683
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine
SMILESCC[C@H](c1ccc(Cl)cc1)N1CCC(C)CC1
InChIInChI=1S/C15H22ClN/c1-3-15(13-4-6-14(16)7-5-13)17-10-8-12(2)9-11-17/h4-7,12,15H,3,8-11H2,1-2H3/t15-/m1/s1
InChIKeyQZRJCABGNCQRKD-OAHLLOKOSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(4-chlorophenyl)propyl]-4-methylpiperidine;hydrochloride
CID 3056499
1-[(1R)-1-(4-chlorophenyl)butyl]-4-methylpiperidine
CID 92967695
1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
CID 119908754
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine
CID 63624404
ethyl 2-[[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]amino]-2-oxoacetate
CID 112504371
2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetic acid
CID 82345105
(3aR,6aS)-5-[1-(4-chlorophenyl)propyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042222
(3S,4R)-1-[(1R)-1-(4-chlorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 100904795
2-[4-(4-chlorophenyl)sulfinylphenyl]-2-(4-methylpiperidin-1-yl)acetonitrile
CID 134108745

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine?
The IUPAC name of 1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine (CID 92967683) is 1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine?
The canonical SMILES for 1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine is CC[C@H](c1ccc(Cl)cc1)N1CCC(C)CC1.
What is the InChIKey of 1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine?
The InChIKey is QZRJCABGNCQRKD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22ClN/c1-3-15(13-4-6-14(16)7-5-13)17-10-8-12(2)9-11-17/h4-7,12,15H,3,8-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine?
1-[(1R)-1-(4-chlorophenyl)propyl]-4-methylpiperidine has a molecular weight of 251.80 g/mol, XLogP of 4.52, 3 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)propyl]-4-methylpiperidine is sourced from PubChem (CID 92967683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).