3-[(4-cyclobutylphenyl)methyl]piperidine

C16H23N — CID 84793090

IUPAC3-[(4-cyclobutylphenyl)methyl]piperidine
SMILESc1cc(C2CCC2)ccc1CC1CCCNC1
InChIInChI=1S/C16H23N/c1-4-15(5-1)16-8-6-13(7-9-16)11-14-3-2-10-17-12-14/h6-9,14-15,17H,1-5,10-12H2
InChIKeyCSJNLPUNIWRGLM-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.50
Rot. Bonds3

About 3-[(4-cyclobutylphenyl)methyl]piperidine

3-[(4-cyclobutylphenyl)methyl]piperidine (PubChem CID 84793090) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[(4-cyclobutylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4-cyclobutylphenyl)methyl]piperidine
PubChem CID84793090
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name3-[(4-cyclobutylphenyl)methyl]piperidine
SMILESc1cc(C2CCC2)ccc1CC1CCCNC1
InChIInChI=1S/C16H23N/c1-4-15(5-1)16-8-6-13(7-9-16)11-14-3-2-10-17-12-14/h6-9,14-15,17H,1-5,10-12H2
InChIKeyCSJNLPUNIWRGLM-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(4-cyclobutylphenyl)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

3-[4-(piperidin-3-ylmethyl)phenyl]piperidine
CID 116988274
4-[[(3R)-piperidin-3-yl]methyl]benzonitrile
CID 93078230
4-(piperidin-3-ylmethyl)benzonitrile
CID 45074435
4-[(4-pyrrolidin-3-ylphenyl)methyl]piperidine
CID 116988438
3-[[4-(2-methylpropyl)phenyl]methyl]piperidine
CID 82049038
4-(azepan-3-ylmethyl)aniline
CID 131866248
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
3-[(4-ethylsulfanylphenyl)methyl]piperidine
CID 82496706
(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 95458543
2-[(4-piperidin-3-ylphenyl)methyl]morpholine
CID 116988313
1-(4-cyclobutylphenyl)-3-piperidin-3-ylpropan-1-one
CID 116562391

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclobutylphenyl)methyl]piperidine?
The IUPAC name of 3-[(4-cyclobutylphenyl)methyl]piperidine (CID 84793090) is 3-[(4-cyclobutylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(4-cyclobutylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(4-cyclobutylphenyl)methyl]piperidine is c1cc(C2CCC2)ccc1CC1CCCNC1.
What is the InChIKey of 3-[(4-cyclobutylphenyl)methyl]piperidine?
The InChIKey is CSJNLPUNIWRGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-4-15(5-1)16-8-6-13(7-9-16)11-14-3-2-10-17-12-14/h6-9,14-15,17H,1-5,10-12H2.
What are the key properties of 3-[(4-cyclobutylphenyl)methyl]piperidine?
3-[(4-cyclobutylphenyl)methyl]piperidine has a molecular weight of 229.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclobutylphenyl)methyl]piperidine is sourced from PubChem (CID 84793090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).