(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone

C14H17Cl2NO — CID 898025

IUPAC(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c1-2-11-5-3-4-8-17(11)14(18)10-6-7-12(15)13(16)9-10/h6-7,9,11H,2-5,8H2,1H3/t11-/m0/s1
InChIKeyDQFLYKCTTJQYLR-NSHDSACASA-N
MW286.20 g/mol
LogP4.40
Rot. Bonds2

About (3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone

(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone (PubChem CID 898025) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
PubChem CID898025
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c1-2-11-5-3-4-8-17(11)14(18)10-6-7-12(15)13(16)9-10/h6-7,9,11H,2-5,8H2,1H3/t11-/m0/s1
InChIKeyDQFLYKCTTJQYLR-NSHDSACASA-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-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 103841917
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
(6-amino-5-chloro-3-pyridinyl)-(2-ethylpiperidin-1-yl)methanone
CID 62155962
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264204
(2-chloro-4-pyridinyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974569
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
(3-chloro-4-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83055938
(3-amino-4,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 104688588
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone (CID 898025) is (3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone is CC[C@H]1CCCCN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone?
The InChIKey is DQFLYKCTTJQYLR-NSHDSACASA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-2-11-5-3-4-8-17(11)14(18)10-6-7-12(15)13(16)9-10/h6-7,9,11H,2-5,8H2,1H3/t11-/m0/s1.
What are the key properties of (3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[(2S)-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 (3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 898025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).