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

C16H26N2OS — CID 70759906

IUPAC[3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)=CCC1(CO)CCCN(Cc2csc(C)n2)C1
InChIInChI=1S/C16H26N2OS/c1-13(2)5-7-16(12-19)6-4-8-18(11-16)9-15-10-20-14(3)17-15/h5,10,19H,4,6-9,11-12H2,1-3H3
InChIKeyNCDJBFHPEDLREK-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.38
Rot. Bonds5

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

[3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (PubChem CID 70759906) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is [3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
PubChem CID70759906
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name[3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
SMILESCC(C)=CCC1(CO)CCCN(Cc2csc(C)n2)C1
InChIInChI=1S/C16H26N2OS/c1-13(2)5-7-16(12-19)6-4-8-18(11-16)9-15-10-20-14(3)17-15/h5,10,19H,4,6-9,11-12H2,1-3H3
InChIKeyNCDJBFHPEDLREK-UHFFFAOYSA-N
XLogP3.38
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

{3-(Cyclopropylmethyl)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl}methanol
CID 70746431
[3-(3-Methyl-2-buten-1-yl)-1-(1,3-thiazol-4-ylmethyl)-3-piperidinyl]methanol
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{3-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidinyl}methanol
CID 72872113
[(4aS*,8aR*)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-pentyloctahydro-1,6-naphthyridin-4a(2H)-yl]methanol
CID 56896404
2-Methyl-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]pentan-1-ol
CID 55055806
2-[1-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]ethanol
CID 55064666
(1-((2-Methylthiazol-4-yl)methyl)piperidin-3-yl)methanol
CID 60645026
[1-[(2-Ethyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 60722298
[1-[(2-Propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 60726486
[1-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 62020064
[1-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol
CID 62021946
[1-[[Methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]cyclopentyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol (CID 70759906) is [3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is CC(C)=CCC1(CO)CCCN(Cc2csc(C)n2)C1.
What is the InChIKey of [3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is NCDJBFHPEDLREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-13(2)5-7-16(12-19)6-4-8-18(11-16)9-15-10-20-14(3)17-15/h5,10,19H,4,6-9,11-12H2,1-3H3.
What are the key properties of [3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol?
[3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 294.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbut-2-enyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 70759906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).