[1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol

C12H24N2O3S — CID 54972033

IUPAC[1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol
SMILESO=S(=O)(CC1CCCNC1)N1CCCC(CO)C1
InChIInChI=1S/C12H24N2O3S/c15-9-12-4-2-6-14(8-12)18(16,17)10-11-3-1-5-13-7-11/h11-13,15H,1-10H2
InChIKeyAYDJNSLKTNIATK-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.02
Rot. Bonds4

About [1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol

[1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol (PubChem CID 54972033) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is [1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol
PubChem CID54972033
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name[1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol
SMILESO=S(=O)(CC1CCCNC1)N1CCCC(CO)C1
InChIInChI=1S/C12H24N2O3S/c15-9-12-4-2-6-14(8-12)18(16,17)10-11-3-1-5-13-7-11/h11-13,15H,1-10H2
InChIKeyAYDJNSLKTNIATK-UHFFFAOYSA-N
XLogP0.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol (CID 54972033) is [1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol is O=S(=O)(CC1CCCNC1)N1CCCC(CO)C1.
What is the InChIKey of [1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol?
The InChIKey is AYDJNSLKTNIATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c15-9-12-4-2-6-14(8-12)18(16,17)10-11-3-1-5-13-7-11/h11-13,15H,1-10H2.
What are the key properties of [1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol?
[1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol has a molecular weight of 276.40 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(piperidin-3-ylmethylsulfonyl)piperidin-3-yl]methanol is sourced from PubChem (CID 54972033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).