4-benzyl-1-(4-methylpentyl)piperidine

C18H29N — CID 155778719

IUPAC4-benzyl-1-(4-methylpentyl)piperidine
SMILESCC(C)CCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N/c1-16(2)7-6-12-19-13-10-18(11-14-19)15-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3
InChIKeyNAKFDCZHHBVRIP-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.38
Rot. Bonds6

About 4-benzyl-1-(4-methylpentyl)piperidine

4-benzyl-1-(4-methylpentyl)piperidine (PubChem CID 155778719) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 4-benzyl-1-(4-methylpentyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(4-methylpentyl)piperidine
PubChem CID155778719
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name4-benzyl-1-(4-methylpentyl)piperidine
SMILESCC(C)CCCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C18H29N/c1-16(2)7-6-12-19-13-10-18(11-14-19)15-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3
InChIKeyNAKFDCZHHBVRIP-UHFFFAOYSA-N
XLogP4.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
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CID 58576677
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-(2-methylsulfanylethyl)piperidine
CID 112796308
2-[(3S)-3-benzylpyrrolidin-1-yl]-N-methylethanamine
CID 67739617
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
(6S)-1-benzyl-4-(4-methylpentyl)-1,4-diazepan-6-ol
CID 99978630
4-benzyl-1-[2-(bromomethyl)-3-methylbutyl]piperidine
CID 65011955
4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 66455203
4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol
CID 56974173

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(4-methylpentyl)piperidine?
The IUPAC name of 4-benzyl-1-(4-methylpentyl)piperidine (CID 155778719) is 4-benzyl-1-(4-methylpentyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(4-methylpentyl)piperidine?
The canonical SMILES for 4-benzyl-1-(4-methylpentyl)piperidine is CC(C)CCCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(4-methylpentyl)piperidine?
The InChIKey is NAKFDCZHHBVRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-16(2)7-6-12-19-13-10-18(11-14-19)15-17-8-4-3-5-9-17/h3-5,8-9,16,18H,6-7,10-15H2,1-2H3.
What are the key properties of 4-benzyl-1-(4-methylpentyl)piperidine?
4-benzyl-1-(4-methylpentyl)piperidine has a molecular weight of 259.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(4-methylpentyl)piperidine is sourced from PubChem (CID 155778719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).