(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one

C13H16ClNO — CID 124634598

IUPAC(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one
SMILESCCc1cc([C@@H]2CCNC(=O)C2)ccc1Cl
InChIInChI=1S/C13H16ClNO/c1-2-9-7-10(3-4-12(9)14)11-5-6-15-13(16)8-11/h3-4,7,11H,2,5-6,8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyXMNZPTIJSKVACG-LLVKDONJSA-N
MW237.73 g/mol
LogP2.90
Rot. Bonds2

About (4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one

(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one (PubChem CID 124634598) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one
PubChem CID124634598
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one
SMILESCCc1cc([C@@H]2CCNC(=O)C2)ccc1Cl
InChIInChI=1S/C13H16ClNO/c1-2-9-7-10(3-4-12(9)14)11-5-6-15-13(16)8-11/h3-4,7,11H,2,5-6,8H2,1H3,(H,15,16)/t11-/m1/s1
InChIKeyXMNZPTIJSKVACG-LLVKDONJSA-N
XLogP2.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-[4-(chloromethyl)phenyl]piperidin-2-one
CID 124634482
(4R)-4-(4-tert-butylphenyl)piperidin-2-one
CID 129394297
4-(4-tert-butylphenyl)piperidin-2-one
CID 58901934
(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one
CID 124634560
4-(4-fluoro-3-phosphanylphenyl)piperidin-2-one
CID 176969199
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608
(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634582
(4S)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634583
4-[4-amino-3-(trifluoromethoxy)phenyl]piperidin-2-one
CID 53417808
1-chloro-4-cyclopentyl-2-(2,2-dimethylpropyl)benzene
CID 162059670
4-methylpiperidin-2-one;propane
CID 142565813
(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634597

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one?
The IUPAC name of (4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one (CID 124634598) is (4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one.
What is the SMILES notation for (4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one?
The canonical SMILES for (4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one is CCc1cc([C@@H]2CCNC(=O)C2)ccc1Cl.
What is the InChIKey of (4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one?
The InChIKey is XMNZPTIJSKVACG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-2-9-7-10(3-4-12(9)14)11-5-6-15-13(16)8-11/h3-4,7,11H,2,5-6,8H2,1H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one?
(4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one has a molecular weight of 237.73 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-chloro-3-ethylphenyl)piperidin-2-one is sourced from PubChem (CID 124634598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).