3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine

C16H25N — CID 116925658

IUPAC3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine
SMILESCc1ccc(CCC2CCCNC2)c(C)c1C
InChIInChI=1S/C16H25N/c1-12-6-8-16(14(3)13(12)2)9-7-15-5-4-10-17-11-15/h6,8,15,17H,4-5,7,9-11H2,1-3H3
InChIKeyXAKIFLYDFCXSSO-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.54
Rot. Bonds3

About 3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine

3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine (PubChem CID 116925658) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine
PubChem CID116925658
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine
SMILESCc1ccc(CCC2CCCNC2)c(C)c1C
InChIInChI=1S/C16H25N/c1-12-6-8-16(14(3)13(12)2)9-7-15-5-4-10-17-11-15/h6,8,15,17H,4-5,7,9-11H2,1-3H3
InChIKeyXAKIFLYDFCXSSO-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4-trimethyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211299
3-[2-(6-methyl-1,3-benzodioxol-5-yl)ethyl]piperidine
CID 116925655
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119069
2-piperidin-3-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936414
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
3-[2-(4-tert-butyl-2-methylphenyl)ethyl]pyrrolidine
CID 116925484
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
4-(2-piperidin-3-ylethyl)benzenethiol
CID 142937615
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 115211401

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine?
The IUPAC name of 3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine (CID 116925658) is 3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine.
What is the SMILES notation for 3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine?
The canonical SMILES for 3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine is Cc1ccc(CCC2CCCNC2)c(C)c1C.
What is the InChIKey of 3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine?
The InChIKey is XAKIFLYDFCXSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12-6-8-16(14(3)13(12)2)9-7-15-5-4-10-17-11-15/h6,8,15,17H,4-5,7,9-11H2,1-3H3.
What are the key properties of 3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine?
3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3,4-trimethylphenyl)ethyl]piperidine is sourced from PubChem (CID 116925658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).