(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone

C19H20ClNO3 — CID 95861244

IUPAC(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESO=C([C@@H](O)c1ccccc1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C19H20ClNO3/c20-16-8-4-5-9-17(16)24-15-10-12-21(13-11-15)19(23)18(22)14-6-2-1-3-7-14/h1-9,15,18,22H,10-13H2/t18-/m0/s1
InChIKeyWSKGCMIFTSAZMQ-SFHVURJKSA-N
MW345.83 g/mol
LogP3.44
Rot. Bonds4

About (2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone

(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone (PubChem CID 95861244) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
PubChem CID95861244
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
SMILESO=C([C@@H](O)c1ccccc1)N1CCC(Oc2ccccc2Cl)CC1
InChIInChI=1S/C19H20ClNO3/c20-16-8-4-5-9-17(16)24-15-10-12-21(13-11-15)19(23)18(22)14-6-2-1-3-7-14/h1-9,15,18,22H,10-13H2/t18-/m0/s1
InChIKeyWSKGCMIFTSAZMQ-SFHVURJKSA-N
XLogP3.44
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116
2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoacetamide
CID 66875568
[4-(2-chlorophenoxy)piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879916
(1-benzoylpiperidin-4-yl)-[4-(2-chlorophenoxy)piperidin-1-yl]methanone
CID 91800796
(2S)-2-amino-1-[(3S)-3-(2-chlorophenoxy)pyrrolidin-1-yl]propan-1-one
CID 124593505
1-[7-(2-chlorophenyl)-1,1-dioxo-1,4-thiazepan-4-yl]-2-hydroxy-2-phenylethanone
CID 121192970
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(2S)-2-amino-1-[4-(2-chlorophenoxy)piperidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 91647253
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102
(2S)-2-amino-1-[(3R)-3-(2-chlorophenoxy)pyrrolidin-1-yl]pentan-1-one
CID 97261184
1-[2-[4-(2-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549413

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The IUPAC name of (2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone (CID 95861244) is (2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone.
What is the SMILES notation for (2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The canonical SMILES for (2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone is O=C([C@@H](O)c1ccccc1)N1CCC(Oc2ccccc2Cl)CC1.
What is the InChIKey of (2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
The InChIKey is WSKGCMIFTSAZMQ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20ClNO3/c20-16-8-4-5-9-17(16)24-15-10-12-21(13-11-15)19(23)18(22)14-6-2-1-3-7-14/h1-9,15,18,22H,10-13H2/t18-/m0/s1.
What are the key properties of (2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone?
(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone has a molecular weight of 345.83 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 95861244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).