phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone

C19H22N2O — CID 2971413

IUPACphenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H22N2O/c22-19(18-9-5-2-6-10-18)21-15-13-20(14-16-21)12-11-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyZBHRLPNPRGWPMD-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.69
Rot. Bonds4

About phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone

phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 2971413) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID2971413
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Namephenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H22N2O/c22-19(18-9-5-2-6-10-18)21-15-13-20(14-16-21)12-11-17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyZBHRLPNPRGWPMD-UHFFFAOYSA-N
XLogP2.69
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 2971413) is phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is ZBHRLPNPRGWPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(18-9-5-2-6-10-18)21-15-13-20(14-16-21)12-11-17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone?
phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 294.40 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2971413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).