4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one

C14H20N2O2 — CID 114066855

IUPAC4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one
SMILESCCC(O)c1ccc(N2CCNC(=O)C2C)cc1
InChIInChI=1S/C14H20N2O2/c1-3-13(17)11-4-6-12(7-5-11)16-9-8-15-14(18)10(16)2/h4-7,10,13,17H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyKDVPQCDLJRUZKD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.45
Rot. Bonds3

About 4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one

4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one (PubChem CID 114066855) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one
PubChem CID114066855
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one
SMILESCCC(O)c1ccc(N2CCNC(=O)C2C)cc1
InChIInChI=1S/C14H20N2O2/c1-3-13(17)11-4-6-12(7-5-11)16-9-8-15-14(18)10(16)2/h4-7,10,13,17H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyKDVPQCDLJRUZKD-UHFFFAOYSA-N
XLogP1.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.45
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 4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one (CID 114066855) is 4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one is CCC(O)c1ccc(N2CCNC(=O)C2C)cc1.
What is the InChIKey of 4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one?
The InChIKey is KDVPQCDLJRUZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-13(17)11-4-6-12(7-5-11)16-9-8-15-14(18)10(16)2/h4-7,10,13,17H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of 4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one?
4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 114066855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).