1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol

C16H20N2OS — CID 130627545

IUPAC1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol
SMILESCc1cc(C2(O)CCCN(Cc3ccccc3)C2)sn1
InChIInChI=1S/C16H20N2OS/c1-13-10-15(20-17-13)16(19)8-5-9-18(12-16)11-14-6-3-2-4-7-14/h2-4,6-7,10,19H,5,8-9,11-12H2,1H3
InChIKeyWAZAZHVNOYDFIN-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.94
Rot. Bonds3

About 1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol

1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol (PubChem CID 130627545) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol
PubChem CID130627545
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol
SMILESCc1cc(C2(O)CCCN(Cc3ccccc3)C2)sn1
InChIInChI=1S/C16H20N2OS/c1-13-10-15(20-17-13)16(19)8-5-9-18(12-16)11-14-6-3-2-4-7-14/h2-4,6-7,10,19H,5,8-9,11-12H2,1H3
InChIKeyWAZAZHVNOYDFIN-UHFFFAOYSA-N
XLogP2.94
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methylpiperidin-4-yl)-(3-methyl-1,2-thiazol-5-yl)-(4-propan-2-ylphenyl)methanol
CID 44457758
[4-Hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 141414952
1-Benzyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130604880
1-Benzyl-2-methyl-3-(1,2-thiazol-3-yl)pyrrolidin-3-ol
CID 130804786
1-Benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 131084399

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol?
The IUPAC name of 1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol (CID 130627545) is 1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol is Cc1cc(C2(O)CCCN(Cc3ccccc3)C2)sn1.
What is the InChIKey of 1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol?
The InChIKey is WAZAZHVNOYDFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-13-10-15(20-17-13)16(19)8-5-9-18(12-16)11-14-6-3-2-4-7-14/h2-4,6-7,10,19H,5,8-9,11-12H2,1H3.
What are the key properties of 1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol?
1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol has a molecular weight of 288.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-methyl-1,2-thiazol-5-yl)piperidin-3-ol is sourced from PubChem (CID 130627545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).