4-(1-benzylcyclobutyl)piperidine

C16H23N — CID 83911456

IUPAC4-(1-benzylcyclobutyl)piperidine
SMILESc1ccc(CC2(C3CCNCC3)CCC2)cc1
InChIInChI=1S/C16H23N/c1-2-5-14(6-3-1)13-16(9-4-10-16)15-7-11-17-12-8-15/h1-3,5-6,15,17H,4,7-13H2
InChIKeyDPZDHTIAPKOOJQ-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.40
Rot. Bonds3

About 4-(1-benzylcyclobutyl)piperidine

4-(1-benzylcyclobutyl)piperidine (PubChem CID 83911456) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-(1-benzylcyclobutyl)piperidine.

Molecular Properties

Compound Name4-(1-benzylcyclobutyl)piperidine
PubChem CID83911456
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name4-(1-benzylcyclobutyl)piperidine
SMILESc1ccc(CC2(C3CCNCC3)CCC2)cc1
InChIInChI=1S/C16H23N/c1-2-5-14(6-3-1)13-16(9-4-10-16)15-7-11-17-12-8-15/h1-3,5-6,15,17H,4,7-13H2
InChIKeyDPZDHTIAPKOOJQ-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-benzylcyclopropyl)pyrrolidine
CID 83908409
4-(1-phenylcyclopentyl)piperidine
CID 83911457
4-benzyl-4-fluoropiperidine;ethane
CID 154662481
4-benzylpiperidine-4-carboxylic acid
CID 18365178
[4-benzyl-1-(piperidin-4-ylmethyl)piperidin-4-yl]methanol
CID 120858035
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
(5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95229978
1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
CID 119554243
1-benzyl-N-(3-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 120557779
(5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95220588
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
2-(1-benzylcyclohexyl)-1,4-dioxane
CID 67727429

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylcyclobutyl)piperidine?
The IUPAC name of 4-(1-benzylcyclobutyl)piperidine (CID 83911456) is 4-(1-benzylcyclobutyl)piperidine.
What is the SMILES notation for 4-(1-benzylcyclobutyl)piperidine?
The canonical SMILES for 4-(1-benzylcyclobutyl)piperidine is c1ccc(CC2(C3CCNCC3)CCC2)cc1.
What is the InChIKey of 4-(1-benzylcyclobutyl)piperidine?
The InChIKey is DPZDHTIAPKOOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-5-14(6-3-1)13-16(9-4-10-16)15-7-11-17-12-8-15/h1-3,5-6,15,17H,4,7-13H2.
What are the key properties of 4-(1-benzylcyclobutyl)piperidine?
4-(1-benzylcyclobutyl)piperidine has a molecular weight of 229.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylcyclobutyl)piperidine is sourced from PubChem (CID 83911456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).