2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol

C13H26N2O3S — CID 107227893

IUPAC2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol
SMILESO=S(=O)(CC1CCCCN1)N1CCCC(CCO)C1
InChIInChI=1S/C13H26N2O3S/c16-9-6-12-4-3-8-15(10-12)19(17,18)11-13-5-1-2-7-14-13/h12-14,16H,1-11H2
InChIKeyKOCGACITRDLMOV-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.55
Rot. Bonds5

About 2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol

2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol (PubChem CID 107227893) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol
PubChem CID107227893
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol
SMILESO=S(=O)(CC1CCCCN1)N1CCCC(CCO)C1
InChIInChI=1S/C13H26N2O3S/c16-9-6-12-4-3-8-15(10-12)19(17,18)11-13-5-1-2-7-14-13/h12-14,16H,1-11H2
InChIKeyKOCGACITRDLMOV-UHFFFAOYSA-N
XLogP0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 106587601
[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
CID 60890880
1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 55151116
2-(piperidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154862
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327
2-(pyrrolidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154863
1-methyl-6-(piperidin-2-ylmethylsulfonyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81198917
N,N-diethyl-1-(piperidin-2-ylmethylsulfonyl)pyrrolidin-3-amine
CID 63540168
2-[1-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-3-yl]ethanol
CID 104870213
1,2,6-trimethyl-4-(piperidin-2-ylmethylsulfonyl)piperazine
CID 114537834
2-[1-(3-methoxypropylsulfonyl)piperidin-3-yl]ethanol
CID 63290285
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-piperidin-2-ylpropan-1-one
CID 114797531

Frequently Asked Questions

What is the IUPAC name of 2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol (CID 107227893) is 2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol is O=S(=O)(CC1CCCCN1)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol?
The InChIKey is KOCGACITRDLMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c16-9-6-12-4-3-8-15(10-12)19(17,18)11-13-5-1-2-7-14-13/h12-14,16H,1-11H2.
What are the key properties of 2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol?
2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol has a molecular weight of 290.43 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107227893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).