(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone

C15H20ClNO — CID 71025506

IUPAC(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H20ClNO/c1-3-14-6-4-5-7-17(14)15(18)12-8-11(2)9-13(16)10-12/h8-10,14H,3-7H2,1-2H3
InChIKeyBOMZJGHOTBOPTD-UHFFFAOYSA-N
MW265.78 g/mol
LogP4.05
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone

(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 71025506) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID71025506
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C15H20ClNO/c1-3-14-6-4-5-7-17(14)15(18)12-8-11(2)9-13(16)10-12/h8-10,14H,3-7H2,1-2H3
InChIKeyBOMZJGHOTBOPTD-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-5-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635898
[2-(chloromethyl)azepan-1-yl]-(3-chloro-5-methylphenyl)methanone
CID 116639152
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
ethyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80997012
3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide
CID 142673349
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
methyl 1-(3-chloro-5-methylbenzoyl)piperidine-2-carboxylate
CID 80975441
[2-(bromomethyl)azepan-1-yl]-(3,5-dichlorophenyl)methanone
CID 116639616
[2-(chloromethyl)pyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 63394765

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone (CID 71025506) is (3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1cc(C)cc(Cl)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is BOMZJGHOTBOPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-3-14-6-4-5-7-17(14)15(18)12-8-11(2)9-13(16)10-12/h8-10,14H,3-7H2,1-2H3.
What are the key properties of (3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone?
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 265.78 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 71025506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).