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

C14H24N2OS — CID 62020064

IUPAC[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)(C)c1nc(CN2CCCC(CO)C2)cs1
InChIInChI=1S/C14H24N2OS/c1-14(2,3)13-15-12(10-18-13)8-16-6-4-5-11(7-16)9-17/h10-11,17H,4-9H2,1-3H3
InChIKeyIBDSAFUVXDFIMP-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.64
Rot. Bonds3

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

[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 62020064) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID62020064
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)(C)c1nc(CN2CCCC(CO)C2)cs1
InChIInChI=1S/C14H24N2OS/c1-14(2,3)13-15-12(10-18-13)8-16-6-4-5-11(7-16)9-17/h10-11,17H,4-9H2,1-3H3
InChIKeyIBDSAFUVXDFIMP-UHFFFAOYSA-N
XLogP2.64
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (CID 62020064) is [1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is CC(C)(C)c1nc(CN2CCCC(CO)C2)cs1.
What is the InChIKey of [1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is IBDSAFUVXDFIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-14(2,3)13-15-12(10-18-13)8-16-6-4-5-11(7-16)9-17/h10-11,17H,4-9H2,1-3H3.
What are the key properties of [1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
[1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 268.43 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 62020064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).