(2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone

C14H17Cl2NO — CID 116568555

IUPAC(2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)c2cccc(Cl)c2Cl)CCCNC1
InChIInChI=1S/C14H17Cl2NO/c1-2-14(7-4-8-17-9-14)13(18)10-5-3-6-11(15)12(10)16/h3,5-6,17H,2,4,7-9H2,1H3
InChIKeyFEMDBKHOWKKNHM-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.96
Rot. Bonds3

About (2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone

(2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone (PubChem CID 116568555) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone
PubChem CID116568555
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name(2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone
SMILESCCC1(C(=O)c2cccc(Cl)c2Cl)CCCNC1
InChIInChI=1S/C14H17Cl2NO/c1-2-14(7-4-8-17-9-14)13(18)10-5-3-6-11(15)12(10)16/h3,5-6,17H,2,4,7-9H2,1H3
InChIKeyFEMDBKHOWKKNHM-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dichlorophenyl)-3-ethylpiperidine-3-carboxamide
CID 55179344
(3-ethylpiperidin-3-yl)-(2-propan-2-yloxyphenyl)methanone
CID 116568498
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506
(2,5-dimethylphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568719
N-(2,3-dichlorophenyl)-3-propylpiperidine-3-carboxamide
CID 63132539
2-chloro-6-[(3-ethylpiperidine-3-carbonyl)amino]benzoic acid
CID 63724976
(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569681
N-[1-(2-chlorophenyl)ethyl]-3-ethyl-N-methylpiperidine-3-carboxamide
CID 63130733
(2-fluorophenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569677
(3-ethylpiperidin-3-yl)-[3-(2-methylpropyl)phenyl]methanone
CID 116568738
2-(2-chlorophenyl)-1-(3-ethylpyrrolidin-3-yl)ethanone
CID 116570367
N-(2,6-diethylphenyl)-3-ethylpiperidine-3-carboxamide
CID 63132509

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone (CID 116568555) is (2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone is CCC1(C(=O)c2cccc(Cl)c2Cl)CCCNC1.
What is the InChIKey of (2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone?
The InChIKey is FEMDBKHOWKKNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-2-14(7-4-8-17-9-14)13(18)10-5-3-6-11(15)12(10)16/h3,5-6,17H,2,4,7-9H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone?
(2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone has a molecular weight of 286.20 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(3-ethylpiperidin-3-yl)methanone is sourced from PubChem (CID 116568555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).