5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one

C13H17ClN2O2 — CID 63661920

IUPAC5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one
SMILESO=C1CCC(NCC(O)c2ccccc2Cl)CN1
InChIInChI=1S/C13H17ClN2O2/c14-11-4-2-1-3-10(11)12(17)8-15-9-5-6-13(18)16-7-9/h1-4,9,12,15,17H,5-8H2,(H,16,18)
InChIKeyNLIAUOXKZRSYBP-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.24
Rot. Bonds4

About 5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one

5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one (PubChem CID 63661920) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one
PubChem CID63661920
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one
SMILESO=C1CCC(NCC(O)c2ccccc2Cl)CN1
InChIInChI=1S/C13H17ClN2O2/c14-11-4-2-1-3-10(11)12(17)8-15-9-5-6-13(18)16-7-9/h1-4,9,12,15,17H,5-8H2,(H,16,18)
InChIKeyNLIAUOXKZRSYBP-UHFFFAOYSA-N
XLogP1.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]piperidin-2-one
CID 63663369
1-(2-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910522
1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol
CID 103966216
1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol
CID 60908981
5-[[3-(2,5-dichlorophenoxy)-2-hydroxypropyl]amino]piperidin-2-one
CID 63661388
1-(2-chlorophenyl)-2-[(3-ethoxycyclobutyl)amino]ethanol
CID 103917765
(1R)-1-(2-chlorophenyl)-2-[[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]ethanol
CID 95979079
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624
1-(2-chlorophenyl)-2-(cyclopropylmethylamino)ethanol
CID 60903428
5-(2-phenylethylamino)piperidin-2-one
CID 63661902
4-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]pyrrolidin-2-one
CID 106189161
5-(naphthalen-1-ylmethylamino)piperidin-2-one
CID 63378732

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one?
The IUPAC name of 5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one (CID 63661920) is 5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one?
The canonical SMILES for 5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one is O=C1CCC(NCC(O)c2ccccc2Cl)CN1.
What is the InChIKey of 5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one?
The InChIKey is NLIAUOXKZRSYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-4-2-1-3-10(11)12(17)8-15-9-5-6-13(18)16-7-9/h1-4,9,12,15,17H,5-8H2,(H,16,18).
What are the key properties of 5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one?
5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one has a molecular weight of 268.74 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one is sourced from PubChem (CID 63661920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).