2-(3-cyclobutylphenyl)-5-methylpiperidine

C16H23N — CID 114606010

IUPAC2-(3-cyclobutylphenyl)-5-methylpiperidine
SMILESCC1CCC(c2cccc(C3CCC3)c2)NC1
InChIInChI=1S/C16H23N/c1-12-8-9-16(17-11-12)15-7-3-6-14(10-15)13-4-2-5-13/h3,6-7,10,12-13,16-17H,2,4-5,8-9,11H2,1H3
InChIKeyWFYZDFMOWZMECP-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.01
Rot. Bonds2

About 2-(3-cyclobutylphenyl)-5-methylpiperidine

2-(3-cyclobutylphenyl)-5-methylpiperidine (PubChem CID 114606010) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(3-cyclobutylphenyl)-5-methylpiperidine.

Molecular Properties

Compound Name2-(3-cyclobutylphenyl)-5-methylpiperidine
PubChem CID114606010
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-(3-cyclobutylphenyl)-5-methylpiperidine
SMILESCC1CCC(c2cccc(C3CCC3)c2)NC1
InChIInChI=1S/C16H23N/c1-12-8-9-16(17-11-12)15-7-3-6-14(10-15)13-4-2-5-13/h3,6-7,10,12-13,16-17H,2,4-5,8-9,11H2,1H3
InChIKeyWFYZDFMOWZMECP-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

(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
2-[(3-cyclobutylphenyl)methyl]-5-methylpiperidine
CID 114605657
N,N-dimethyl-3-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenyl]propan-1-amine
CID 164750242
N,N-dimethyl-2-[3-[(2R,5S)-5-methylpiperidin-2-yl]phenoxy]ethanamine
CID 164750088
(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine
CID 170904340
4-[(2S,5R)-5-methylpiperidin-2-yl]-2-propan-2-ylphenol
CID 164753784
2,6-dimethyl-4-(5-methylpiperidin-2-yl)phenol
CID 164753381
6-(5-methylpiperidin-2-yl)-2,3-dihydroisoindol-1-one
CID 164752596
2-[3-(4,4-dimethylcyclohexyl)phenyl]piperidine
CID 117431747
5-(5-methylpiperidin-2-yl)-1,3-benzothiazole
CID 164750446
2-[3-(thian-4-yl)phenyl]pyrrolidine
CID 117372154
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylphenyl)-5-methylpiperidine?
The IUPAC name of 2-(3-cyclobutylphenyl)-5-methylpiperidine (CID 114606010) is 2-(3-cyclobutylphenyl)-5-methylpiperidine.
What is the SMILES notation for 2-(3-cyclobutylphenyl)-5-methylpiperidine?
The canonical SMILES for 2-(3-cyclobutylphenyl)-5-methylpiperidine is CC1CCC(c2cccc(C3CCC3)c2)NC1.
What is the InChIKey of 2-(3-cyclobutylphenyl)-5-methylpiperidine?
The InChIKey is WFYZDFMOWZMECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12-8-9-16(17-11-12)15-7-3-6-14(10-15)13-4-2-5-13/h3,6-7,10,12-13,16-17H,2,4-5,8-9,11H2,1H3.
What are the key properties of 2-(3-cyclobutylphenyl)-5-methylpiperidine?
2-(3-cyclobutylphenyl)-5-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-(3-cyclobutylphenyl)-5-methylpiperidine is sourced from PubChem (CID 114606010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).