1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol

C14H21ClN2O3S — CID 60908981

IUPAC1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol
SMILESCS(=O)(=O)N1CCC(NCC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-21(19,20)17-8-6-11(7-9-17)16-10-14(18)12-4-2-3-5-13(12)15/h2-5,11,14,16,18H,6-10H2,1H3
InChIKeyRPRSYRWMWYYCLE-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.39
Rot. Bonds5

About 1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol

1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol (PubChem CID 60908981) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol
PubChem CID60908981
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol
SMILESCS(=O)(=O)N1CCC(NCC(O)c2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-21(19,20)17-8-6-11(7-9-17)16-10-14(18)12-4-2-3-5-13(12)15/h2-5,11,14,16,18H,6-10H2,1H3
InChIKeyRPRSYRWMWYYCLE-UHFFFAOYSA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-2-[(1-methylpiperidin-4-yl)amino]ethanol
CID 60910522
1-methylsulfonyl-N-(2-phenylpropyl)piperidin-4-amine
CID 43432051
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
N-[2-(azepan-1-yl)-2-phenylethyl]-1-methylsulfonylpiperidin-4-amine
CID 56708957
1-(2-chlorophenyl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethanol
CID 103966216
1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
CID 60887095
1-(2-chlorophenyl)-2-[(3-ethoxycyclobutyl)amino]ethanol
CID 103917765
5-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]piperidin-2-one
CID 63661920
2-acetamido-3-(2-chlorophenyl)-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 3227068
5-[1-hydroxy-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 175378779
1-(2-chlorophenyl)-2-[(2,6-dimethylpiperidin-1-yl)amino]ethanol
CID 83013771
1-cyclopentyloxy-3-[(1-methylsulfonylpiperidin-4-yl)amino]propan-2-ol
CID 60908468

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol (CID 60908981) is 1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol is CS(=O)(=O)N1CCC(NCC(O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol?
The InChIKey is RPRSYRWMWYYCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-21(19,20)17-8-6-11(7-9-17)16-10-14(18)12-4-2-3-5-13(12)15/h2-5,11,14,16,18H,6-10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol?
1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol has a molecular weight of 332.85 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]ethanol is sourced from PubChem (CID 60908981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).