[3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol

C13H27NO4S — CID 72917410

IUPAC[3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
SMILESCOCCCC1(CO)CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C13H27NO4S/c1-18-9-4-6-13(12-15)5-3-7-14(11-13)8-10-19(2,16)17/h15H,3-12H2,1-2H3
InChIKeyCABHHGZEKSTLNC-UHFFFAOYSA-N
MW293.43 g/mol
LogP0.53
Rot. Bonds8

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

[3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol (PubChem CID 72917410) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is [3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
PubChem CID72917410
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Name[3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
SMILESCOCCCC1(CO)CCCN(CCS(C)(=O)=O)C1
InChIInChI=1S/C13H27NO4S/c1-18-9-4-6-13(12-15)5-3-7-14(11-13)8-10-19(2,16)17/h15H,3-12H2,1-2H3
InChIKeyCABHHGZEKSTLNC-UHFFFAOYSA-N
XLogP0.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidin-1-yl]propanoic acid
CID 97125742
[3-(cyclopropylmethyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
CID 72923462
[(3S)-3-(3-methylbut-2-enyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol
CID 97140829
[(3R)-1-(azepan-1-ylsulfonyl)-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97142125
3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97132495
[(3R)-3-(3-methoxypropyl)-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]methanol
CID 97150707
[(3R)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methanol
CID 97143432
[1-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 72940800
[(3R)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97119620
[(3S)-1-[(2,5-dimethylphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97119619
[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97124457
[3-(2-methoxyethyl)-1-[3-(tetrazol-1-yl)propyl]piperidin-3-yl]methanol
CID 72867912

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol (CID 72917410) is [3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol is COCCCC1(CO)CCCN(CCS(C)(=O)=O)C1.
What is the InChIKey of [3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
The InChIKey is CABHHGZEKSTLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-18-9-4-6-13(12-15)5-3-7-14(11-13)8-10-19(2,16)17/h15H,3-12H2,1-2H3.
What are the key properties of [3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol?
[3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol has a molecular weight of 293.43 g/mol, XLogP of 0.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypropyl)-1-(2-methylsulfonylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 72917410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).