3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole

C16H22N2S — CID 141415840

IUPAC3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole
SMILESCN1C=C(CN2CCC(c3ccccc3)CC2)SC1
InChIInChI=1S/C16H22N2S/c1-17-11-16(19-13-17)12-18-9-7-15(8-10-18)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12-13H2,1H3
InChIKeyUAIZJOLOMQTMDQ-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.34
Rot. Bonds3

About 3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole

3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole (PubChem CID 141415840) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole.

Molecular Properties

Compound Name3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole
PubChem CID141415840
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole
SMILESCN1C=C(CN2CCC(c3ccccc3)CC2)SC1
InChIInChI=1S/C16H22N2S/c1-17-11-16(19-13-17)12-18-9-7-15(8-10-18)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12-13H2,1H3
InChIKeyUAIZJOLOMQTMDQ-UHFFFAOYSA-N
XLogP3.34
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54327803
1-(2-chloroethyl)-4-phenylpiperidine
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4-phenyl-1-(3-phenylbutyl)piperidine
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4-[2-(4-phenylpiperidin-1-yl)ethyl]phenol
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4-phenyl-1-(4-phenylbut-3-ynyl)piperidine
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4-phenyl-1-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine
CID 141379171
N-ethyl-3-(4-phenylpiperidin-1-yl)propan-1-amine
CID 21051144
4-phenyl-1-(2-phenylethyl)piperidine;propanamide
CID 175431355
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268
2-[4-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(3,4,5-13C3)azinan-1-yl]-1,1,2,2-tetradeuterio(113C)ethanamine
CID 89308417
1-[(E)-but-2-enyl]-4-phenylpiperidine
CID 22888236

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole?
The IUPAC name of 3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole (CID 141415840) is 3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole.
What is the SMILES notation for 3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole?
The canonical SMILES for 3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole is CN1C=C(CN2CCC(c3ccccc3)CC2)SC1.
What is the InChIKey of 3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole?
The InChIKey is UAIZJOLOMQTMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-17-11-16(19-13-17)12-18-9-7-15(8-10-18)14-5-3-2-4-6-14/h2-6,11,15H,7-10,12-13H2,1H3.
What are the key properties of 3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole?
3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole has a molecular weight of 274.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-phenylpiperidin-1-yl)methyl]-2H-1,3-thiazole is sourced from PubChem (CID 141415840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).