(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone

C14H18ClNO — CID 1206104

IUPAC(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO/c1-2-13-8-3-4-9-16(13)14(17)11-6-5-7-12(15)10-11/h5-7,10,13H,2-4,8-9H2,1H3/t13-/m1/s1
InChIKeySGORFVPRVJPOLV-CYBMUJFWSA-N
MW251.76 g/mol
LogP3.74
Rot. Bonds2

About (3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone

(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone (PubChem CID 1206104) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is (3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
PubChem CID1206104
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H18ClNO/c1-2-13-8-3-4-9-16(13)14(17)11-6-5-7-12(15)10-11/h5-7,10,13H,2-4,8-9H2,1H3/t13-/m1/s1
InChIKeySGORFVPRVJPOLV-CYBMUJFWSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421627
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
(3-aminophenyl)-(2-ethylazepan-1-yl)methanone;hydrochloride
CID 119793415
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(3-bromophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60974699
[2-(3-chloroanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264158
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109055680
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
(2,4-dichlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 5060806

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone (CID 1206104) is (3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone is CC[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone?
The InChIKey is SGORFVPRVJPOLV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-13-8-3-4-9-16(13)14(17)11-6-5-7-12(15)10-11/h5-7,10,13H,2-4,8-9H2,1H3/t13-/m1/s1.
What are the key properties of (3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone?
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone has a molecular weight of 251.76 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 1206104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).