3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine

C16H25N — CID 117335200

IUPAC3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine
SMILESCCc1cc(C)c(C)c(CC2CCCNC2)c1
InChIInChI=1S/C16H25N/c1-4-14-8-12(2)13(3)16(9-14)10-15-6-5-7-17-11-15/h8-9,15,17H,4-7,10-11H2,1-3H3
InChIKeyBQEQYJYEZYLBAH-UHFFFAOYSA-N
MW231.38 g/mol
LogP3.41
Rot. Bonds3

About 3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine

3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine (PubChem CID 117335200) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine
PubChem CID117335200
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine
SMILESCCc1cc(C)c(C)c(CC2CCCNC2)c1
InChIInChI=1S/C16H25N/c1-4-14-8-12(2)13(3)16(9-14)10-15-6-5-7-17-11-15/h8-9,15,17H,4-7,10-11H2,1-3H3
InChIKeyBQEQYJYEZYLBAH-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117997
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117371526
3-[(3,5-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117377185
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 82498563

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine?
The IUPAC name of 3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine (CID 117335200) is 3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine is CCc1cc(C)c(C)c(CC2CCCNC2)c1.
What is the InChIKey of 3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine?
The InChIKey is BQEQYJYEZYLBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-4-14-8-12(2)13(3)16(9-14)10-15-6-5-7-17-11-15/h8-9,15,17H,4-7,10-11H2,1-3H3.
What are the key properties of 3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine?
3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine has a molecular weight of 231.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 117335200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).