1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one

C20H24N2O2 — CID 82263325

IUPAC1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)c1ccc(OCc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C20H24N2O2/c1-16(22-13-11-21-12-14-22)20(23)18-7-9-19(10-8-18)24-15-17-5-3-2-4-6-17/h2-10,16,21H,11-15H2,1H3
InChIKeyYBAXKIMCLODWOO-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.74
Rot. Bonds6

About 1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one

1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one (PubChem CID 82263325) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one
PubChem CID82263325
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)c1ccc(OCc2ccccc2)cc1)N1CCNCC1
InChIInChI=1S/C20H24N2O2/c1-16(22-13-11-21-12-14-22)20(23)18-7-9-19(10-8-18)24-15-17-5-3-2-4-6-17/h2-10,16,21H,11-15H2,1H3
InChIKeyYBAXKIMCLODWOO-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171283032
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
CID 116924119
5-phenylmethoxy-2-[(1S)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171283033
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535
1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171281105
(3R)-2,2-dimethyl-3-(4-phenylmethoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171190739
4-phenylmethoxybenzoic acid
CID 68896574
Ethyl 3-[4-(benzyloxy)phenyl]-2-methyl-3-oxopropanoate lithium salt
CID 69109805
piperazin-1-yl 2,2-dimethyl-4-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 174722585
oxalic acid;1-[2-(4-phenylmethoxyphenoxy)ethyl]piperazine
CID 2944466
oxalic acid;1-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 2944148

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one (CID 82263325) is 1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one is CC(C(=O)c1ccc(OCc2ccccc2)cc1)N1CCNCC1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one?
The InChIKey is YBAXKIMCLODWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(22-13-11-21-12-14-22)20(23)18-7-9-19(10-8-18)24-15-17-5-3-2-4-6-17/h2-10,16,21H,11-15H2,1H3.
What are the key properties of 1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one?
1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one has a molecular weight of 324.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82263325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).