3-[(3-ethyl-4-methylphenyl)methyl]piperidine

C15H23N — CID 84785651

IUPAC3-[(3-ethyl-4-methylphenyl)methyl]piperidine
SMILESCCc1cc(CC2CCCNC2)ccc1C
InChIInChI=1S/C15H23N/c1-3-15-10-13(7-6-12(15)2)9-14-5-4-8-16-11-14/h6-7,10,14,16H,3-5,8-9,11H2,1-2H3
InChIKeyBXVQYMVCNFXNKT-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.10
Rot. Bonds3

About 3-[(3-ethyl-4-methylphenyl)methyl]piperidine

3-[(3-ethyl-4-methylphenyl)methyl]piperidine (PubChem CID 84785651) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-[(3-ethyl-4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(3-ethyl-4-methylphenyl)methyl]piperidine
PubChem CID84785651
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-[(3-ethyl-4-methylphenyl)methyl]piperidine
SMILESCCc1cc(CC2CCCNC2)ccc1C
InChIInChI=1S/C15H23N/c1-3-15-10-13(7-6-12(15)2)9-14-5-4-8-16-11-14/h6-7,10,14,16H,3-5,8-9,11H2,1-2H3
InChIKeyBXVQYMVCNFXNKT-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine
CID 117335200
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-methyl-6-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 116997535
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
2-methyl-4-[[(3R)-piperidin-3-yl]methyl]pyridine
CID 139490801
1,3-dimethyl-5-(piperidin-3-ylmethyl)benzimidazol-2-one
CID 82500378
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
2,3-dimethyl-6-(piperidin-3-ylmethyl)-1H-indole
CID 117358368

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-4-methylphenyl)methyl]piperidine?
The IUPAC name of 3-[(3-ethyl-4-methylphenyl)methyl]piperidine (CID 84785651) is 3-[(3-ethyl-4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(3-ethyl-4-methylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(3-ethyl-4-methylphenyl)methyl]piperidine is CCc1cc(CC2CCCNC2)ccc1C.
What is the InChIKey of 3-[(3-ethyl-4-methylphenyl)methyl]piperidine?
The InChIKey is BXVQYMVCNFXNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-15-10-13(7-6-12(15)2)9-14-5-4-8-16-11-14/h6-7,10,14,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of 3-[(3-ethyl-4-methylphenyl)methyl]piperidine?
3-[(3-ethyl-4-methylphenyl)methyl]piperidine has a molecular weight of 217.36 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 84785651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).