1-benzylsulfonyl-3-methylpiperidin-4-ol

C13H19NO3S — CID 114501633

IUPAC1-benzylsulfonyl-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CCC1O
InChIInChI=1S/C13H19NO3S/c1-11-9-14(8-7-13(11)15)18(16,17)10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeyXLQPMUHNITYYCQ-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.22
Rot. Bonds3

About 1-benzylsulfonyl-3-methylpiperidin-4-ol

1-benzylsulfonyl-3-methylpiperidin-4-ol (PubChem CID 114501633) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-benzylsulfonyl-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-benzylsulfonyl-3-methylpiperidin-4-ol
PubChem CID114501633
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name1-benzylsulfonyl-3-methylpiperidin-4-ol
SMILESCC1CN(S(=O)(=O)Cc2ccccc2)CCC1O
InChIInChI=1S/C13H19NO3S/c1-11-9-14(8-7-13(11)15)18(16,17)10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeyXLQPMUHNITYYCQ-UHFFFAOYSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-aminophenyl)methylsulfonyl]-3-methylpiperidin-4-ol
CID 114677570
1-benzylsulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498856
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
2-[(4-hydroxy-3-methylpiperidin-1-yl)sulfonylmethyl]benzenecarbothioamide
CID 114678614
3-methyl-1-[(2-nitrophenyl)methylsulfonyl]piperidin-4-ol
CID 114680569
4-benzylsulfonyl-1,2-dimethylpiperazine
CID 110707686
1-benzylsulfonyl-3-methylpiperazine
CID 65449944
(1-benzylsulfonylpiperidin-4-yl)methanamine
CID 43605269
4-benzylsulfonyl-2-methyl-1-phenylpiperazine
CID 110658074
1-benzylsulfonyl-3,5-dimethylpiperidine
CID 3113494
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
4-benzylsulfonyl-1,2,6-trimethylpiperazine
CID 110662416

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-3-methylpiperidin-4-ol?
The IUPAC name of 1-benzylsulfonyl-3-methylpiperidin-4-ol (CID 114501633) is 1-benzylsulfonyl-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-benzylsulfonyl-3-methylpiperidin-4-ol?
The canonical SMILES for 1-benzylsulfonyl-3-methylpiperidin-4-ol is CC1CN(S(=O)(=O)Cc2ccccc2)CCC1O.
What is the InChIKey of 1-benzylsulfonyl-3-methylpiperidin-4-ol?
The InChIKey is XLQPMUHNITYYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-11-9-14(8-7-13(11)15)18(16,17)10-12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3.
What are the key properties of 1-benzylsulfonyl-3-methylpiperidin-4-ol?
1-benzylsulfonyl-3-methylpiperidin-4-ol has a molecular weight of 269.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-3-methylpiperidin-4-ol is sourced from PubChem (CID 114501633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).