[2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol

C16H28N2OS — CID 63161595

IUPAC[2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N2CCC(CC)(CC)CC2)sc1CO
InChIInChI=1S/C16H28N2OS/c1-4-7-13-14(12-19)20-15(17-13)18-10-8-16(5-2,6-3)9-11-18/h19H,4-12H2,1-3H3
InChIKeyHBXMLKFCWNCVJK-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.99
Rot. Bonds6

About [2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol

[2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol (PubChem CID 63161595) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is [2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
PubChem CID63161595
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name[2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
SMILESCCCc1nc(N2CCC(CC)(CC)CC2)sc1CO
InChIInChI=1S/C16H28N2OS/c1-4-7-13-14(12-19)20-15(17-13)18-10-8-16(5-2,6-3)9-11-18/h19H,4-12H2,1-3H3
InChIKeyHBXMLKFCWNCVJK-UHFFFAOYSA-N
XLogP3.99
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 55117427
1-[2-(4,4-diethylpiperidin-1-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 63161251
N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55112709
(4-ethyl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanol
CID 62778641
[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511149
2-(4,4-diethylpiperidin-1-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509379
[2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766388
[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63161163
[2-(3-phenylpyrrolidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol
CID 62780682
[4-cyclopropyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63917608
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
N-[[2-(1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142121

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol (CID 63161595) is [2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol is CCCc1nc(N2CCC(CC)(CC)CC2)sc1CO.
What is the InChIKey of [2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
The InChIKey is HBXMLKFCWNCVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-4-7-13-14(12-19)20-15(17-13)18-10-8-16(5-2,6-3)9-11-18/h19H,4-12H2,1-3H3.
What are the key properties of [2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol?
[2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol has a molecular weight of 296.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-diethylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 63161595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).