1-(4-methylphenyl)-2-piperidin-3-ylethanone

C14H19NO — CID 84683077

IUPAC1-(4-methylphenyl)-2-piperidin-3-ylethanone
SMILESCc1ccc(C(=O)CC2CCCNC2)cc1
InChIInChI=1S/C14H19NO/c1-11-4-6-13(7-5-11)14(16)9-12-3-2-8-15-10-12/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyDKTUFHYXWMUZOY-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.57
Rot. Bonds3

About 1-(4-methylphenyl)-2-piperidin-3-ylethanone

1-(4-methylphenyl)-2-piperidin-3-ylethanone (PubChem CID 84683077) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-piperidin-3-ylethanone
PubChem CID84683077
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(4-methylphenyl)-2-piperidin-3-ylethanone
SMILESCc1ccc(C(=O)CC2CCCNC2)cc1
InChIInChI=1S/C14H19NO/c1-11-4-6-13(7-5-11)14(16)9-12-3-2-8-15-10-12/h4-7,12,15H,2-3,8-10H2,1H3
InChIKeyDKTUFHYXWMUZOY-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462344
1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564116
2-piperidin-3-yl-1-thiophen-3-ylethanone
CID 116564139
1-(2,3-difluoro-4-methylphenyl)-2-piperidin-3-ylethanone
CID 107514868
1-(2,3-dimethylphenyl)-2-piperidin-3-ylethanone
CID 116564167
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926
1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082
(3R)-3-[2-(4-methylphenyl)-2-oxoethyl]piperidin-2-one
CID 159856465
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
1-(4-fluorophenyl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanone
CID 120854199
2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone
CID 162401384
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-3-ylethanone
CID 116917204

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-piperidin-3-ylethanone (CID 84683077) is 1-(4-methylphenyl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-piperidin-3-ylethanone is Cc1ccc(C(=O)CC2CCCNC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-piperidin-3-ylethanone?
The InChIKey is DKTUFHYXWMUZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-4-6-13(7-5-11)14(16)9-12-3-2-8-15-10-12/h4-7,12,15H,2-3,8-10H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-piperidin-3-ylethanone?
1-(4-methylphenyl)-2-piperidin-3-ylethanone has a molecular weight of 217.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-piperidin-3-ylethanone is sourced from PubChem (CID 84683077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).