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

C12H20N2OS — CID 51086523

IUPAC1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
SMILESCC(C)c1nc(CN2CCCC(O)C2)cs1
InChIInChI=1S/C12H20N2OS/c1-9(2)12-13-10(8-16-12)6-14-5-3-4-11(15)7-14/h8-9,11,15H,3-7H2,1-2H3
InChIKeyMJXRFYYYFALTTB-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.22
Rot. Bonds3

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

1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol (PubChem CID 51086523) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
PubChem CID51086523
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
SMILESCC(C)c1nc(CN2CCCC(O)C2)cs1
InChIInChI=1S/C12H20N2OS/c1-9(2)12-13-10(8-16-12)6-14-5-3-4-11(15)7-14/h8-9,11,15H,3-7H2,1-2H3
InChIKeyMJXRFYYYFALTTB-UHFFFAOYSA-N
XLogP2.22
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
CID 62690788
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 130552808
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 55169627
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
N-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 119923292
(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94381346
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339200
(5S)-5-methyl-5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 98768253
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344338

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol (CID 51086523) is 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol is CC(C)c1nc(CN2CCCC(O)C2)cs1.
What is the InChIKey of 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is MJXRFYYYFALTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(2)12-13-10(8-16-12)6-14-5-3-4-11(15)7-14/h8-9,11,15H,3-7H2,1-2H3.
What are the key properties of 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 240.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 51086523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).