[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol

C17H22N2OS — CID 62779816

IUPAC[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N2CCC(Cc3ccccc3)CC2)sc1CO
InChIInChI=1S/C17H22N2OS/c1-13-16(12-20)21-17(18-13)19-9-7-15(8-10-19)11-14-5-3-2-4-6-14/h2-6,15,20H,7-12H2,1H3
InChIKeyYADNROOEEWHVGN-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.40
Rot. Bonds4

About [2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol

[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 62779816) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID62779816
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N2CCC(Cc3ccccc3)CC2)sc1CO
InChIInChI=1S/C17H22N2OS/c1-13-16(12-20)21-17(18-13)19-9-7-15(8-10-19)11-14-5-3-2-4-6-14/h2-6,15,20H,7-12H2,1H3
InChIKeyYADNROOEEWHVGN-UHFFFAOYSA-N
XLogP3.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazol-5-yl]methanol
CID 63979536
[4-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63009952
2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
CID 171988061
[2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62751684
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
4-benzyl-1-(1,3,5-trimethylpyrazol-4-yl)piperidine
CID 110454841
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 55117477
1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 110374604
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone
CID 20889717
6-(4-benzylpiperidin-1-yl)-2-methyl-N-phenylpyrimidin-4-amine
CID 112876447
[3-(4-benzylpiperidin-1-yl)-4-pyridinyl]methanol
CID 105066691
5-(4-benzylpiperidin-1-yl)-7-methyl-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 20956815

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol (CID 62779816) is [2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(N2CCC(Cc3ccccc3)CC2)sc1CO.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is YADNROOEEWHVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13-16(12-20)21-17(18-13)19-9-7-15(8-10-19)11-14-5-3-2-4-6-14/h2-6,15,20H,7-12H2,1H3.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol?
[2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 302.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 62779816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).