2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide

C15H22N2O2 — CID 54989376

IUPAC2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
SMILESCC(O)c1ccc(N2CCC(CC(N)=O)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(18)13-2-4-14(5-3-13)17-8-6-12(7-9-17)10-15(16)19/h2-5,11-12,18H,6-10H2,1H3,(H2,16,19)
InChIKeyWZGCOAKUBXZMHE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.83
Rot. Bonds4

About 2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide

2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide (PubChem CID 54989376) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
PubChem CID54989376
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide
SMILESCC(O)c1ccc(N2CCC(CC(N)=O)CC2)cc1
InChIInChI=1S/C15H22N2O2/c1-11(18)13-2-4-14(5-3-13)17-8-6-12(7-9-17)10-15(16)19/h2-5,11-12,18H,6-10H2,1H3,(H2,16,19)
InChIKeyWZGCOAKUBXZMHE-UHFFFAOYSA-N
XLogP1.83
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide (CID 54989376) is 2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide is CC(O)c1ccc(N2CCC(CC(N)=O)CC2)cc1.
What is the InChIKey of 2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
The InChIKey is WZGCOAKUBXZMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(18)13-2-4-14(5-3-13)17-8-6-12(7-9-17)10-15(16)19/h2-5,11-12,18H,6-10H2,1H3,(H2,16,19).
What are the key properties of 2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide?
2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(1-hydroxyethyl)phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 54989376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).