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

C16H28N2OS — CID 114338047

IUPAC1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H28N2OS/c1-12(19)9-13-7-5-6-8-18(13)10-15-17-14(11-20-15)16(2,3)4/h11-13,19H,5-10H2,1-4H3
InChIKeyNTZYYPVLGADDRT-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.57
Rot. Bonds4

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

1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol (PubChem CID 114338047) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
PubChem CID114338047
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H28N2OS/c1-12(19)9-13-7-5-6-8-18(13)10-15-17-14(11-20-15)16(2,3)4/h11-13,19H,5-10H2,1-4H3
InChIKeyNTZYYPVLGADDRT-UHFFFAOYSA-N
XLogP3.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338946
N-[[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83101594
1-[1-(1-benzothiophen-3-ylmethyl)piperidin-2-yl]propan-2-ol
CID 114337925
1-[1-(1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758778
1-[1-(1-benzothiophen-3-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338668
4-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114338264
1-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338091
4-[[2-(2-hydroxypropyl)piperidin-1-yl]methyl]benzoic acid
CID 114337900
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methyl-3-piperidin-1-ylbutan-2-ol
CID 79828051
1-[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]propan-2-ol
CID 114338141
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N-methylpiperidin-4-amine
CID 119923466
1-[1-[(5-bromothiophen-2-yl)methyl]azepan-2-yl]propan-2-ol
CID 114338850

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol (CID 114338047) is 1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol?
The InChIKey is NTZYYPVLGADDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-12(19)9-13-7-5-6-8-18(13)10-15-17-14(11-20-15)16(2,3)4/h11-13,19H,5-10H2,1-4H3.
What are the key properties of 1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol?
1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol has a molecular weight of 296.48 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 114338047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).