[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol

C13H20N2O3S — CID 54878771

IUPAC[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(CCc1ccccn1)N1CCC(CO)CC1
InChIInChI=1S/C13H20N2O3S/c16-11-12-4-8-15(9-5-12)19(17,18)10-6-13-3-1-2-7-14-13/h1-3,7,12,16H,4-6,8-11H2
InChIKeyPAFCRAHGRGXYIO-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.66
Rot. Bonds5

About [1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol

[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol (PubChem CID 54878771) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
PubChem CID54878771
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(CCc1ccccn1)N1CCC(CO)CC1
InChIInChI=1S/C13H20N2O3S/c16-11-12-4-8-15(9-5-12)19(17,18)10-6-13-3-1-2-7-14-13/h1-3,7,12,16H,4-6,8-11H2
InChIKeyPAFCRAHGRGXYIO-UHFFFAOYSA-N
XLogP0.66
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
(3S)-1-(2-pyridin-2-ylethylsulfonyl)pyrrolidin-3-ol
CID 79030740
1-(2-pyridin-2-ylethylsulfonyl)azetidin-3-ol
CID 63106619
ethyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-4-carboxylate
CID 23959675
N-propyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60865084
2-[2-[3-(chloromethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63397714
1-(azetidin-3-yl)-4-(2-pyridin-2-ylethylsulfonyl)piperazine
CID 66202357
2-[4-(2-pyridin-2-ylethylsulfonyl)piperazin-1-yl]ethanethioamide
CID 63336516
[4-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidin-3-yl]methanamine
CID 114960930
2-[2-[3-(2-chloroethyl)piperidin-1-yl]sulfonylethyl]pyridine
CID 63400545
5-(2-pyridin-2-ylethylsulfonyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213179
3-(2-phenylphenyl)-2-[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]-2H-1,3-thiazole
CID 90791655

Frequently Asked Questions

What is the IUPAC name of [1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol (CID 54878771) is [1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol is O=S(=O)(CCc1ccccn1)N1CCC(CO)CC1.
What is the InChIKey of [1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol?
The InChIKey is PAFCRAHGRGXYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c16-11-12-4-8-15(9-5-12)19(17,18)10-6-13-3-1-2-7-14-13/h1-3,7,12,16H,4-6,8-11H2.
What are the key properties of [1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol?
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol has a molecular weight of 284.38 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol is sourced from PubChem (CID 54878771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).