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

C16H20N2OS — CID 114681267

IUPAC3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
SMILESCC1CN(Cc2csc(-c3ccccc3)n2)CCC1O
InChIInChI=1S/C16H20N2OS/c1-12-9-18(8-7-15(12)19)10-14-11-20-16(17-14)13-5-3-2-4-6-13/h2-6,11-12,15,19H,7-10H2,1H3
InChIKeyPAWYUVQKVUMNHX-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.01
Rot. Bonds3

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

3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol (PubChem CID 114681267) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
PubChem CID114681267
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
SMILESCC1CN(Cc2csc(-c3ccccc3)n2)CCC1O
InChIInChI=1S/C16H20N2OS/c1-12-9-18(8-7-15(12)19)10-14-11-20-16(17-14)13-5-3-2-4-6-13/h2-6,11-12,15,19H,7-10H2,1H3
InChIKeyPAWYUVQKVUMNHX-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

4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
(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
[(3S,4S)-4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 139014319
phenyl-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanone
CID 16605883
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
5-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 79992782
[1-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 62062365
(3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 155990749
N,N-dimethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 37105671
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The IUPAC name of 3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol (CID 114681267) is 3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for 3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol is CC1CN(Cc2csc(-c3ccccc3)n2)CCC1O.
What is the InChIKey of 3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The InChIKey is PAWYUVQKVUMNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-12-9-18(8-7-15(12)19)10-14-11-20-16(17-14)13-5-3-2-4-6-13/h2-6,11-12,15,19H,7-10H2,1H3.
What are the key properties of 3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-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 3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 114681267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).