[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol

C13H26N2O3S — CID 60890880

IUPAC[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
SMILESO=S(=O)(CCC1CCCCN1)N1CCCC(CO)C1
InChIInChI=1S/C13H26N2O3S/c16-11-12-4-3-8-15(10-12)19(17,18)9-6-13-5-1-2-7-14-13/h12-14,16H,1-11H2
InChIKeyUMZHIVCKBIEXSO-UHFFFAOYSA-N
MW290.43 g/mol
LogP0.55
Rot. Bonds5

About [1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol

[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol (PubChem CID 60890880) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is [1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
PubChem CID60890880
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC Name[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol
SMILESO=S(=O)(CCC1CCCCN1)N1CCCC(CO)C1
InChIInChI=1S/C13H26N2O3S/c16-11-12-4-3-8-15(10-12)19(17,18)9-6-13-5-1-2-7-14-13/h12-14,16H,1-11H2
InChIKeyUMZHIVCKBIEXSO-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

2-[1-(piperidin-2-ylmethylsulfonyl)piperidin-3-yl]ethanol
CID 107227893
4-ethyl-1-(2-piperidin-2-ylethylsulfonyl)piperidine
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[1-(2-piperidin-4-ylethylsulfonyl)pyrrolidin-3-yl]methanol
CID 112625660
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
(4aR,8aR)-1-(2-piperidin-2-ylethylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
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1,2,6-trimethyl-4-(2-piperidin-2-ylethylsulfonyl)piperazine
CID 114537116
4-(2-piperidin-2-ylethylsulfonyl)-1,4-diazepan-2-one
CID 65364180
3-(methoxymethyl)-1-(piperidin-2-ylmethylsulfonyl)piperidine
CID 106587601
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
2-(piperidin-2-ylmethylsulfonyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 63154862
7,7-dimethyl-4-(2-piperidin-2-ylethylsulfonyl)-1,4-thiazepane
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2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327

Frequently Asked Questions

What is the IUPAC name of [1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol (CID 60890880) is [1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol is O=S(=O)(CCC1CCCCN1)N1CCCC(CO)C1.
What is the InChIKey of [1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol?
The InChIKey is UMZHIVCKBIEXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c16-11-12-4-3-8-15(10-12)19(17,18)9-6-13-5-1-2-7-14-13/h12-14,16H,1-11H2.
What are the key properties of [1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol?
[1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol 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 [1-(2-piperidin-2-ylethylsulfonyl)piperidin-3-yl]methanol is sourced from PubChem (CID 60890880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).