1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol

C15H18N2OS — CID 131084399

IUPAC1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
SMILESOC1(c2ccsn2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H18N2OS/c18-15(14-7-10-19-16-14)8-4-9-17(12-15)11-13-5-2-1-3-6-13/h1-3,5-7,10,18H,4,8-9,11-12H2
InChIKeySQSCRYFYQUMYQP-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.63
Rot. Bonds3

About 1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol

1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol (PubChem CID 131084399) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
PubChem CID131084399
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
SMILESOC1(c2ccsn2)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H18N2OS/c18-15(14-7-10-19-16-14)8-4-9-17(12-15)11-13-5-2-1-3-6-13/h1-3,5-7,10,18H,4,8-9,11-12H2
InChIKeySQSCRYFYQUMYQP-UHFFFAOYSA-N
XLogP2.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3S)-7-benzyl-1-oxa-7-azaspiro[2.5]octane
CID 92976100
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
CID 19095553
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114637897
1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol
CID 19424718
1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol
CID 44514801
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
1-benzyl-3-(1H-pyrrol-2-yl)pyrrolidin-3-ol
CID 130546152

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol?
The IUPAC name of 1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol (CID 131084399) is 1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol is OC1(c2ccsn2)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol?
The InChIKey is SQSCRYFYQUMYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-15(14-7-10-19-16-14)8-4-9-17(12-15)11-13-5-2-1-3-6-13/h1-3,5-7,10,18H,4,8-9,11-12H2.
What are the key properties of 1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol?
1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol has a molecular weight of 274.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol is sourced from PubChem (CID 131084399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).