4-benzyl-1-(3-methylbutyl)piperidine

C17H27N — CID 59512021

IUPAC4-benzyl-1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-15(2)8-11-18-12-9-17(10-13-18)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3
InChIKeyLHDPEKQTVDPQHE-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.99
Rot. Bonds5

About 4-benzyl-1-(3-methylbutyl)piperidine

4-benzyl-1-(3-methylbutyl)piperidine (PubChem CID 59512021) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-benzyl-1-(3-methylbutyl)piperidine.

Molecular Properties

Compound Name4-benzyl-1-(3-methylbutyl)piperidine
PubChem CID59512021
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-benzyl-1-(3-methylbutyl)piperidine
SMILESCC(C)CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H27N/c1-15(2)8-11-18-12-9-17(10-13-18)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3
InChIKeyLHDPEKQTVDPQHE-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-2-amine
CID 53211384
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-[(1S)-4-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylbutyl]phenol
CID 56974173
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-benzyl-1-(2-methylsulfanylethyl)piperidine
CID 112796308
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
1-(4-aminophenyl)-3-(4-benzylpiperidin-1-yl)propan-1-ol
CID 82070868
(6S)-6-benzyl-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281013
4-benzyl-1-[2-(bromomethyl)-3-methylbutyl]piperidine
CID 65011955
4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 66455203
N-[2-(4-benzylpiperidin-1-yl)ethyl]propan-1-amine
CID 53211570

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-(3-methylbutyl)piperidine?
The IUPAC name of 4-benzyl-1-(3-methylbutyl)piperidine (CID 59512021) is 4-benzyl-1-(3-methylbutyl)piperidine.
What is the SMILES notation for 4-benzyl-1-(3-methylbutyl)piperidine?
The canonical SMILES for 4-benzyl-1-(3-methylbutyl)piperidine is CC(C)CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-1-(3-methylbutyl)piperidine?
The InChIKey is LHDPEKQTVDPQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-15(2)8-11-18-12-9-17(10-13-18)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3.
What are the key properties of 4-benzyl-1-(3-methylbutyl)piperidine?
4-benzyl-1-(3-methylbutyl)piperidine has a molecular weight of 245.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-(3-methylbutyl)piperidine is sourced from PubChem (CID 59512021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).