1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol

C12H20N2OS — CID 115873781

IUPAC1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
SMILESCc1nc(CN2CCCC(C)(O)C2)sc1C
InChIInChI=1S/C12H20N2OS/c1-9-10(2)16-11(13-9)7-14-6-4-5-12(3,15)8-14/h15H,4-8H2,1-3H3
InChIKeyRRXGJQCPYXXIDU-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.11
Rot. Bonds2

About 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol

1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol (PubChem CID 115873781) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
PubChem CID115873781
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
SMILESCc1nc(CN2CCCC(C)(O)C2)sc1C
InChIInChI=1S/C12H20N2OS/c1-9-10(2)16-11(13-9)7-14-6-4-5-12(3,15)8-14/h15H,4-8H2,1-3H3
InChIKeyRRXGJQCPYXXIDU-UHFFFAOYSA-N
XLogP2.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylpiperidin-3-ol
CID 115871396
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol
CID 113343942
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162068
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 115874237
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
3-methyl-1-[(2,4,6-trimethylphenyl)methyl]piperidin-3-ol
CID 113343970
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
(3R,4S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-propylpiperidine-3-carboxylic acid
CID 163316107
3-methyl-1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 113343938
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-3-ol
CID 115873831
2-[(3S)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine
CID 124517257

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol (CID 115873781) is 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol is Cc1nc(CN2CCCC(C)(O)C2)sc1C.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol?
The InChIKey is RRXGJQCPYXXIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-10(2)16-11(13-9)7-14-6-4-5-12(3,15)8-14/h15H,4-8H2,1-3H3.
What are the key properties of 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol?
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol has a molecular weight of 240.37 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 115873781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).