4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol

C16H20N2OS — CID 103898315

IUPAC4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
SMILESCC1CCN(Cc2csc(-c3ccccc3)n2)CC1O
InChIInChI=1S/C16H20N2OS/c1-12-7-8-18(10-15(12)19)9-14-11-20-16(17-14)13-5-3-2-4-6-13/h2-6,11-12,15,19H,7-10H2,1H3
InChIKeyVHTOOYKETJYNNZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.01
Rot. Bonds3

About 4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol

4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol (PubChem CID 103898315) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
PubChem CID103898315
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
SMILESCC1CCN(Cc2csc(-c3ccccc3)n2)CC1O
InChIInChI=1S/C16H20N2OS/c1-12-7-8-18(10-15(12)19)9-14-11-20-16(17-14)13-5-3-2-4-6-13/h2-6,11-12,15,19H,7-10H2,1H3
InChIKeyVHTOOYKETJYNNZ-UHFFFAOYSA-N
XLogP3.01
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
4-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 103885656
4-methyl-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-ol
CID 103897934
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
[(3S,4S)-4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 139014319
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79992782
4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 111334097
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-ol
CID 33186793
N-[[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 42960018
(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 135091194

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol (CID 103898315) is 4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol is CC1CCN(Cc2csc(-c3ccccc3)n2)CC1O.
What is the InChIKey of 4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is VHTOOYKETJYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-7-8-18(10-15(12)19)9-14-11-20-16(17-14)13-5-3-2-4-6-13/h2-6,11-12,15,19H,7-10H2,1H3.
What are the key properties of 4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 288.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 103898315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).