(3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol

C17H22N2OS — CID 155990749

IUPAC(3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
SMILESCc1nc(CN2CC[C@H](O)[C@H](Cc3ccccc3)C2)cs1
InChIInChI=1S/C17H22N2OS/c1-13-18-16(12-21-13)11-19-8-7-17(20)15(10-19)9-14-5-3-2-4-6-14/h2-6,12,15,17,20H,7-11H2,1H3/t15-,17+/m1/s1
InChIKeyULGIEUNSWAAZQG-WBVHZDCISA-N
MW302.44 g/mol
LogP2.88
Rot. Bonds4

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

(3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol (PubChem CID 155990749) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is (3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
PubChem CID155990749
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name(3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
SMILESCc1nc(CN2CC[C@H](O)[C@H](Cc3ccccc3)C2)cs1
InChIInChI=1S/C17H22N2OS/c1-13-18-16(12-21-13)11-19-8-7-17(20)15(10-19)9-14-5-3-2-4-6-14/h2-6,12,15,17,20H,7-11H2,1H3/t15-,17+/m1/s1
InChIKeyULGIEUNSWAAZQG-WBVHZDCISA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114511212
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
4-[[(3R,4S)-3-benzyl-1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 155874533
3-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 114681267
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
4-methyl-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 103898315
4-[[3-(1-benzylimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 70734472
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
(2S)-2-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 119366533
9-ethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 134073652

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The IUPAC name of (3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol (CID 155990749) is (3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol.
What is the SMILES notation for (3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The canonical SMILES for (3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol is Cc1nc(CN2CC[C@H](O)[C@H](Cc3ccccc3)C2)cs1.
What is the InChIKey of (3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
The InChIKey is ULGIEUNSWAAZQG-WBVHZDCISA-N. The full InChI is InChI=1S/C17H22N2OS/c1-13-18-16(12-21-13)11-19-8-7-17(20)15(10-19)9-14-5-3-2-4-6-14/h2-6,12,15,17,20H,7-11H2,1H3/t15-,17+/m1/s1.
What are the key properties of (3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol?
(3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol has a molecular weight of 302.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 155990749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).