[4-(2-propylsulfonylethyl)piperidin-4-yl]methanol

C11H23NO3S — CID 106734295

IUPAC[4-(2-propylsulfonylethyl)piperidin-4-yl]methanol
SMILESCCCS(=O)(=O)CCC1(CO)CCNCC1
InChIInChI=1S/C11H23NO3S/c1-2-8-16(14,15)9-5-11(10-13)3-6-12-7-4-11/h12-13H,2-10H2,1H3
InChIKeySBOUFVHMWIYNKB-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.56
Rot. Bonds6

About [4-(2-propylsulfonylethyl)piperidin-4-yl]methanol

[4-(2-propylsulfonylethyl)piperidin-4-yl]methanol (PubChem CID 106734295) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is [4-(2-propylsulfonylethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-propylsulfonylethyl)piperidin-4-yl]methanol
PubChem CID106734295
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name[4-(2-propylsulfonylethyl)piperidin-4-yl]methanol
SMILESCCCS(=O)(=O)CCC1(CO)CCNCC1
InChIInChI=1S/C11H23NO3S/c1-2-8-16(14,15)9-5-11(10-13)3-6-12-7-4-11/h12-13H,2-10H2,1H3
InChIKeySBOUFVHMWIYNKB-UHFFFAOYSA-N
XLogP0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-propylsulfonylethyl)cyclopropyl]methyl]propan-1-amine
CID 106730080
[3-(2-ethylsulfonylethyl)oxolan-3-yl]methanol
CID 66060068
(3-butylpyrrolidin-3-yl)methanol
CID 66059430
1-propylsulfonylpropane
CID 11709
2-[4-(hydroxymethyl)piperidin-4-yl]ethyl formate
CID 174966990
(4-propylpiperidin-4-yl)methylcarbamic acid
CID 118239545
[4-(ethoxymethyl)piperidin-4-yl]methanol
CID 103984986
(1-propylcyclopropyl)methanol
CID 66026334
[4-(2,2-difluoroethyl)piperidin-4-yl]methanol
CID 146082411
(4-methylpiperidin-4-yl)methanol
CID 22507737
1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one
CID 106736401
methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate
CID 105442614

Frequently Asked Questions

What is the IUPAC name of [4-(2-propylsulfonylethyl)piperidin-4-yl]methanol?
The IUPAC name of [4-(2-propylsulfonylethyl)piperidin-4-yl]methanol (CID 106734295) is [4-(2-propylsulfonylethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [4-(2-propylsulfonylethyl)piperidin-4-yl]methanol?
The canonical SMILES for [4-(2-propylsulfonylethyl)piperidin-4-yl]methanol is CCCS(=O)(=O)CCC1(CO)CCNCC1.
What is the InChIKey of [4-(2-propylsulfonylethyl)piperidin-4-yl]methanol?
The InChIKey is SBOUFVHMWIYNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-8-16(14,15)9-5-11(10-13)3-6-12-7-4-11/h12-13H,2-10H2,1H3.
What are the key properties of [4-(2-propylsulfonylethyl)piperidin-4-yl]methanol?
[4-(2-propylsulfonylethyl)piperidin-4-yl]methanol has a molecular weight of 249.38 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propylsulfonylethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 106734295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).