[2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone

C16H18N2O2S — CID 119059377

IUPAC[2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nccs2)cc1)N1CCCCC1CO
InChIInChI=1S/C16H18N2O2S/c19-11-14-3-1-2-9-18(14)16(20)13-6-4-12(5-7-13)15-17-8-10-21-15/h4-8,10,14,19H,1-3,9,11H2
InChIKeyWERCPQLXJABWKB-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.80
Rot. Bonds3

About [2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone

[2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 119059377) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is [2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
PubChem CID119059377
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name[2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone
SMILESO=C(c1ccc(-c2nccs2)cc1)N1CCCCC1CO
InChIInChI=1S/C16H18N2O2S/c19-11-14-3-1-2-9-18(14)16(20)13-6-4-12(5-7-13)15-17-8-10-21-15/h4-8,10,14,19H,1-3,9,11H2
InChIKeyWERCPQLXJABWKB-UHFFFAOYSA-N
XLogP2.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of [2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone (CID 119059377) is [2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone is O=C(c1ccc(-c2nccs2)cc1)N1CCCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is WERCPQLXJABWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-11-14-3-1-2-9-18(14)16(20)13-6-4-12(5-7-13)15-17-8-10-21-15/h4-8,10,14,19H,1-3,9,11H2.
What are the key properties of [2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone?
[2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 302.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 119059377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).