1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone

C19H26N2O — CID 2881340

IUPAC1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C19H26N2O/c22-19(15-17-7-3-1-4-8-17)21-13-11-20(12-14-21)16-18-9-5-2-6-10-18/h1-5,7-8,18H,6,9-16H2
InChIKeyZONZVGRQOSCENA-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.73
Rot. Bonds4

About 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone

1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 2881340) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone
PubChem CID2881340
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C19H26N2O/c22-19(15-17-7-3-1-4-8-17)21-13-11-20(12-14-21)16-18-9-5-2-6-10-18/h1-5,7-8,18H,6,9-16H2
InChIKeyZONZVGRQOSCENA-UHFFFAOYSA-N
XLogP2.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone (CID 2881340) is 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is ZONZVGRQOSCENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-19(15-17-7-3-1-4-8-17)21-13-11-20(12-14-21)16-18-9-5-2-6-10-18/h1-5,7-8,18H,6,9-16H2.
What are the key properties of 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone?
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 298.43 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 2881340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).