(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone

C16H23NO — CID 116568719

IUPAC(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)c2cc(C)ccc2C)CCCNC1
InChIInChI=1S/C16H23NO/c1-4-16(8-5-9-17-11-16)15(18)14-10-12(2)6-7-13(14)3/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeyLONXPAOZFIKKFS-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.27
Rot. Bonds3

About (2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone

(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone (PubChem CID 116568719) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
PubChem CID116568719
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)c2cc(C)ccc2C)CCCNC1
InChIInChI=1S/C16H23NO/c1-4-16(8-5-9-17-11-16)15(18)14-10-12(2)6-7-13(14)3/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeyLONXPAOZFIKKFS-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568708
3-[(2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 63132715
(2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568555
(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568591
3-ethyl-N-(2-methoxy-4-methylphenyl)piperidine-3-carboxamide
CID 63130989
(3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone
CID 116568498
(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
CID 106826512
(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569681
4-[(3-ethylpiperidine-3-carbonyl)amino]-2-methylbenzoic acid
CID 63135020
3-ethyl-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
CID 63132813
(2,6-difluoro-3-methylphenyl)-(3-ethylpyrrolidin-3-yl)methanone
CID 116570430
3-ethyl-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 63130701

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone?
The IUPAC name of (2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone (CID 116568719) is (2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone?
The canonical SMILES for (2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone is CCC1(C(=O)c2cc(C)ccc2C)CCCNC1.
What is the InChIKey of (2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone?
The InChIKey is LONXPAOZFIKKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-16(8-5-9-17-11-16)15(18)14-10-12(2)6-7-13(14)3/h6-7,10,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of (2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone?
(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone has a molecular weight of 245.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone is sourced from PubChem (CID 116568719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).