2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide

C16H24N2O2 — CID 110891598

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(c1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C16H24N2O2/c1-17(2)16(20)15(14-6-4-3-5-7-14)18-10-8-13(12-19)9-11-18/h3-7,13,15,19H,8-12H2,1-2H3
InChIKeyYZKNOSYZCMOWDD-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.52
Rot. Bonds4

About 2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide

2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide (PubChem CID 110891598) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
PubChem CID110891598
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(c1ccccc1)N1CCC(CO)CC1
InChIInChI=1S/C16H24N2O2/c1-17(2)16(20)15(14-6-4-3-5-7-14)18-10-8-13(12-19)9-11-18/h3-7,13,15,19H,8-12H2,1-2H3
InChIKeyYZKNOSYZCMOWDD-UHFFFAOYSA-N
XLogP1.52
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide (CID 110891598) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)C(c1ccccc1)N1CCC(CO)CC1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is YZKNOSYZCMOWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17(2)16(20)15(14-6-4-3-5-7-14)18-10-8-13(12-19)9-11-18/h3-7,13,15,19H,8-12H2,1-2H3.
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 110891598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).