4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine

C22H35N — CID 58110987

IUPAC4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine
SMILESCC(C)(C)C1CCC(CN2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N/c1-22(2,3)21-10-9-20(16-21)17-23-13-11-19(12-14-23)15-18-7-5-4-6-8-18/h4-8,19-21H,9-17H2,1-3H3
InChIKeyJVXQUQYKUBZNRS-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.40
Rot. Bonds4

About 4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine

4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine (PubChem CID 58110987) has the molecular formula C22H35N and a molecular weight of 313.53 g/mol. Its IUPAC name is 4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine
PubChem CID58110987
Molecular FormulaC22H35N
Molecular Weight313.53 g/mol
Exact Mass313.28
IUPAC Name4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine
SMILESCC(C)(C)C1CCC(CN2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N/c1-22(2,3)21-10-9-20(16-21)17-23-13-11-19(12-14-23)15-18-7-5-4-6-8-18/h4-8,19-21H,9-17H2,1-3H3
InChIKeyJVXQUQYKUBZNRS-UHFFFAOYSA-N
XLogP5.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylmethyl)-4-benzylpiperidine
CID 162283808
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
CID 142080658
N-[(1R,3S)-3-[(4-benzylpiperidin-1-yl)methyl]cyclopentyl]formamide
CID 123232157
1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 39350302
cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 131851979
1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 64818557
4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 66455203
cyclopropylmethylbenzene;ethane;methane
CID 142248267
4-benzyl-1-(2-methylsulfanylethyl)piperidine
CID 112796308
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021
4-benzyl-1-(2-methylbutan-2-yl)piperidine
CID 70930058

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine?
The IUPAC name of 4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine (CID 58110987) is 4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine is CC(C)(C)C1CCC(CN2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of 4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine?
The InChIKey is JVXQUQYKUBZNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N/c1-22(2,3)21-10-9-20(16-21)17-23-13-11-19(12-14-23)15-18-7-5-4-6-8-18/h4-8,19-21H,9-17H2,1-3H3.
What are the key properties of 4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine?
4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine has a molecular weight of 313.53 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine is sourced from PubChem (CID 58110987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).