2-(2-cyclobutylphenyl)-4-methylpiperidine

C16H23N — CID 114605954

IUPAC2-(2-cyclobutylphenyl)-4-methylpiperidine
SMILESCC1CCNC(c2ccccc2C2CCC2)C1
InChIInChI=1S/C16H23N/c1-12-9-10-17-16(11-12)15-8-3-2-7-14(15)13-5-4-6-13/h2-3,7-8,12-13,16-17H,4-6,9-11H2,1H3
InChIKeyYBXNJUVAFKUOKJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.01
Rot. Bonds2

About 2-(2-cyclobutylphenyl)-4-methylpiperidine

2-(2-cyclobutylphenyl)-4-methylpiperidine (PubChem CID 114605954) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(2-cyclobutylphenyl)-4-methylpiperidine.

Molecular Properties

Compound Name2-(2-cyclobutylphenyl)-4-methylpiperidine
PubChem CID114605954
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-(2-cyclobutylphenyl)-4-methylpiperidine
SMILESCC1CCNC(c2ccccc2C2CCC2)C1
InChIInChI=1S/C16H23N/c1-12-9-10-17-16(11-12)15-8-3-2-7-14(15)13-5-4-6-13/h2-3,7-8,12-13,16-17H,4-6,9-11H2,1H3
InChIKeyYBXNJUVAFKUOKJ-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(2-cyclohexylphenyl)pyrrolidine
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2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpiperidine
CID 114746819
2-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidine
CID 130682300
2-(3-methylcyclohexyl)aniline
CID 15340119
4-[(2S,4R)-4-methylpiperidin-2-yl]phenol
CID 138627789
2-[2-(oxetan-3-yl)phenyl]pyrrolidine
CID 83832200
(2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine
CID 95566877
4-methyl-2-(2-phenylpyrazol-3-yl)piperidine
CID 107331171
2-(2-chlorophenyl)piperidine-4-carboxylic acid
CID 82388189
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylphenyl)-4-methylpiperidine?
The IUPAC name of 2-(2-cyclobutylphenyl)-4-methylpiperidine (CID 114605954) is 2-(2-cyclobutylphenyl)-4-methylpiperidine.
What is the SMILES notation for 2-(2-cyclobutylphenyl)-4-methylpiperidine?
The canonical SMILES for 2-(2-cyclobutylphenyl)-4-methylpiperidine is CC1CCNC(c2ccccc2C2CCC2)C1.
What is the InChIKey of 2-(2-cyclobutylphenyl)-4-methylpiperidine?
The InChIKey is YBXNJUVAFKUOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-9-10-17-16(11-12)15-8-3-2-7-14(15)13-5-4-6-13/h2-3,7-8,12-13,16-17H,4-6,9-11H2,1H3.
What are the key properties of 2-(2-cyclobutylphenyl)-4-methylpiperidine?
2-(2-cyclobutylphenyl)-4-methylpiperidine has a molecular weight of 229.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylphenyl)-4-methylpiperidine is sourced from PubChem (CID 114605954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).