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

C13H22N2OS — CID 62021946

IUPAC[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)c1nc(CN2CCCC(CO)C2)cs1
InChIInChI=1S/C13H22N2OS/c1-10(2)13-14-12(9-17-13)7-15-5-3-4-11(6-15)8-16/h9-11,16H,3-8H2,1-2H3
InChIKeyFMZAKWYULCCIQS-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.47
Rot. Bonds4

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

[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 62021946) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID62021946
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)c1nc(CN2CCCC(CO)C2)cs1
InChIInChI=1S/C13H22N2OS/c1-10(2)13-14-12(9-17-13)7-15-5-3-4-11(6-15)8-16/h9-11,16H,3-8H2,1-2H3
InChIKeyFMZAKWYULCCIQS-UHFFFAOYSA-N
XLogP2.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{1-Isobutyl-4-[(4-isopropyl-1,3-thiazol-2-yl)methyl]piperazin-2-yl}ethanol
CID 16187283
1-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
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
{3-(Cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl}methanol
CID 70746431
{3-(3-Methylbut-2-en-1-yl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl}methanol
CID 70759906
4-[[methyl-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 28641675
(3R*,4S*)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4-dimethylpiperidin-4-ol
CID 72869993
{3-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidinyl}methanol
CID 72872113

Frequently Asked Questions

What is the IUPAC name of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (CID 62021946) is [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is CC(C)c1nc(CN2CCCC(CO)C2)cs1.
What is the InChIKey of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is FMZAKWYULCCIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(2)13-14-12(9-17-13)7-15-5-3-4-11(6-15)8-16/h9-11,16H,3-8H2,1-2H3.
What are the key properties of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 254.40 g/mol, XLogP of 2.47, 4 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-yl]methanol is sourced from PubChem (CID 62021946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).