2-benzyl-1-(cyclohexylmethyl)piperidine

C19H29N — CID 71326049

IUPAC2-benzyl-1-(cyclohexylmethyl)piperidine
SMILESc1ccc(CC2CCCCN2CC2CCCCC2)cc1
InChIInChI=1S/C19H29N/c1-3-9-17(10-4-1)15-19-13-7-8-14-20(19)16-18-11-5-2-6-12-18/h1,3-4,9-10,18-19H,2,5-8,11-16H2
InChIKeyUMMANICATICNHI-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.66
Rot. Bonds4

About 2-benzyl-1-(cyclohexylmethyl)piperidine

2-benzyl-1-(cyclohexylmethyl)piperidine (PubChem CID 71326049) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-benzyl-1-(cyclohexylmethyl)piperidine.

Molecular Properties

Compound Name2-benzyl-1-(cyclohexylmethyl)piperidine
PubChem CID71326049
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-benzyl-1-(cyclohexylmethyl)piperidine
SMILESc1ccc(CC2CCCCN2CC2CCCCC2)cc1
InChIInChI=1S/C19H29N/c1-3-9-17(10-4-1)15-19-13-7-8-14-20(19)16-18-11-5-2-6-12-18/h1,3-4,9-10,18-19H,2,5-8,11-16H2
InChIKeyUMMANICATICNHI-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-benzyl-1-propylpiperidine
CID 97355928
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
5-(2-benzylpiperidin-1-yl)pentanoic acid
CID 18621474
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
1-benzyl-4-[(2-benzylpiperidin-1-yl)methyl]-3-methylpyrrolidin-3-ol
CID 173161826
1,3-dibenzylcyclooctane
CID 3045388
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
CID 86235526
CID 86235526
4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]piperidine
CID 119930243
2-benzyl-1-(cyclobutylmethyl)-5-methylpiperazine
CID 65462876
2-(bromomethyl)-1-(cyclopropylmethyl)azepane
CID 116638384

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(cyclohexylmethyl)piperidine?
The IUPAC name of 2-benzyl-1-(cyclohexylmethyl)piperidine (CID 71326049) is 2-benzyl-1-(cyclohexylmethyl)piperidine.
What is the SMILES notation for 2-benzyl-1-(cyclohexylmethyl)piperidine?
The canonical SMILES for 2-benzyl-1-(cyclohexylmethyl)piperidine is c1ccc(CC2CCCCN2CC2CCCCC2)cc1.
What is the InChIKey of 2-benzyl-1-(cyclohexylmethyl)piperidine?
The InChIKey is UMMANICATICNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-9-17(10-4-1)15-19-13-7-8-14-20(19)16-18-11-5-2-6-12-18/h1,3-4,9-10,18-19H,2,5-8,11-16H2.
What are the key properties of 2-benzyl-1-(cyclohexylmethyl)piperidine?
2-benzyl-1-(cyclohexylmethyl)piperidine has a molecular weight of 271.45 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(cyclohexylmethyl)piperidine is sourced from PubChem (CID 71326049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).