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

C13H22N2OS — CID 72869993

IUPAC(3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol
SMILESCCc1nc(CN2CC[C@](C)(O)[C@H](C)C2)cs1
InChIInChI=1S/C13H22N2OS/c1-4-12-14-11(9-17-12)8-15-6-5-13(3,16)10(2)7-15/h9-10,16H,4-8H2,1-3H3/t10-,13+/m1/s1
InChIKeyIZUURPMKONFJQL-MFKMUULPSA-N
MW254.40 g/mol
LogP2.30
Rot. Bonds3

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

(3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol (PubChem CID 72869993) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is (3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol
PubChem CID72869993
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name(3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol
SMILESCCc1nc(CN2CC[C@](C)(O)[C@H](C)C2)cs1
InChIInChI=1S/C13H22N2OS/c1-4-12-14-11(9-17-12)8-15-6-5-13(3,16)10(2)7-15/h9-10,16H,4-8H2,1-3H3/t10-,13+/m1/s1
InChIKeyIZUURPMKONFJQL-MFKMUULPSA-N
XLogP2.30
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

4-(Piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole
CID 53523916
1-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 53525495
4-[(4-Methoxypiperidin-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 53527622
[1-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 53528553
(3R*,4R*)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-(2-methoxyethyl)-3-methyl-4-piperidinol
CID 72857839
(3R*,4R*)-1-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-4-(2-methoxyethyl)-3-methyl-4-piperidinol
CID 72859661
(3R*,4R*)-4-(2-methoxyethyl)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-piperidinol
CID 72902967
2-Methyl-1-(methyl((2-propylthiazol-4-yl)methyl)amino)propan-2-ol
CID 56790951
4-[(4-Propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 58395264
2-Ethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53513522
2-Propyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53513624

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The IUPAC name of (3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol (CID 72869993) is (3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol is CCc1nc(CN2CC[C@](C)(O)[C@H](C)C2)cs1.
What is the InChIKey of (3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol?
The InChIKey is IZUURPMKONFJQL-MFKMUULPSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-12-14-11(9-17-12)8-15-6-5-13(3,16)10(2)7-15/h9-10,16H,4-8H2,1-3H3/t10-,13+/m1/s1.
What are the key properties of (3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol?
(3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol has a molecular weight of 254.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol is sourced from PubChem (CID 72869993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).