1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride

C19H24Cl2N2O — CID 23447945

IUPAC1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride
SMILESCC(=O)c1ccc(C(c2ccccc2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C19H22N2O.2ClH/c1-15(22)16-7-9-18(10-8-16)19(17-5-3-2-4-6-17)21-13-11-20-12-14-21;;/h2-10,19-20H,11-14H2,1H3;2*1H
InChIKeySONJUTLKTCXPPH-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.73
Rot. Bonds4

About 1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride

1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride (PubChem CID 23447945) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is 1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride
PubChem CID23447945
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC Name1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride
SMILESCC(=O)c1ccc(C(c2ccccc2)N2CCNCC2)cc1.Cl.Cl
InChIInChI=1S/C19H22N2O.2ClH/c1-15(22)16-7-9-18(10-8-16)19(17-5-3-2-4-6-17)21-13-11-20-12-14-21;;/h2-10,19-20H,11-14H2,1H3;2*1H
InChIKeySONJUTLKTCXPPH-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-acetylphenyl)-2-(1,2,5,8-tetrazecan-1-yl)acetic acid
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1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
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1-[phenyl(pyridin-4-yl)methyl]piperazine
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N,N-diethyl-4-[[3-(N-ethylanilino)phenyl]-piperazin-1-ylmethyl]benzamide
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1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
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(2S)-2-phenyl-2-piperazin-1-ylacetic acid
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1-[(1S)-1-phenylethyl]piperazine;dihydrochloride
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CID 160506934

Frequently Asked Questions

What is the IUPAC name of 1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride?
The IUPAC name of 1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride (CID 23447945) is 1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride.
What is the SMILES notation for 1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride?
The canonical SMILES for 1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride is CC(=O)c1ccc(C(c2ccccc2)N2CCNCC2)cc1.Cl.Cl.
What is the InChIKey of 1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride?
The InChIKey is SONJUTLKTCXPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O.2ClH/c1-15(22)16-7-9-18(10-8-16)19(17-5-3-2-4-6-17)21-13-11-20-12-14-21;;/h2-10,19-20H,11-14H2,1H3;2*1H.
What are the key properties of 1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride?
1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride has a molecular weight of 367.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[phenyl(piperazin-1-yl)methyl]phenyl]ethanone;dihydrochloride is sourced from PubChem (CID 23447945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).