(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone

C14H17Cl2NO — CID 5060806

IUPAC(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO/c1-2-11-5-3-4-8-17(11)14(18)12-7-6-10(15)9-13(12)16/h6-7,9,11H,2-5,8H2,1H3
InChIKeyVXFPJFSKMSSHQH-UHFFFAOYSA-N
MW286.20 g/mol
LogP4.40
Rot. Bonds2

About (2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone

(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 5060806) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID5060806
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO/c1-2-11-5-3-4-8-17(11)14(18)12-7-6-10(15)9-13(12)16/h6-7,9,11H,2-5,8H2,1H3
InChIKeyVXFPJFSKMSSHQH-UHFFFAOYSA-N
XLogP4.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-amino-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793408
2-[1-(2,4-dichlorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372414
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
(5-chloro-2-nitrophenyl)-(2-ethylazepan-1-yl)methanone
CID 115642385
(5-bromo-2-chlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 113441714
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
1-(2,4-dichlorophenyl)-2-(2-ethylazepan-1-yl)propan-1-one
CID 104690675
(4,5-dichloro-1H-pyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 86917004
(2,4-diaminophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 61095162
1-[1-(2-chloro-4-methylbenzoyl)piperidin-2-yl]propan-2-one
CID 106861332
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone (CID 5060806) is (2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is VXFPJFSKMSSHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-2-11-5-3-4-8-17(11)14(18)12-7-6-10(15)9-13(12)16/h6-7,9,11H,2-5,8H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone?
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 286.20 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 5060806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).