1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride

C18H22Cl4N2 — CID 3065514

IUPAC1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride
SMILESCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.Cl.Cl
InChIInChI=1S/C18H20Cl2N2.2ClH/c1-21-10-12-22(13-11-21)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15;;/h2-9,18H,10-13H2,1H3;2*1H
InChIKeyAYSKQNXSAOXFLF-UHFFFAOYSA-N
MW408.20 g/mol
LogP5.17
Rot. Bonds3

About 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride

1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride (PubChem CID 3065514) has the molecular formula C18H22Cl4N2 and a molecular weight of 408.20 g/mol. Its IUPAC name is 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride
PubChem CID3065514
Molecular FormulaC18H22Cl4N2
Molecular Weight408.20 g/mol
Exact Mass406.05
IUPAC Name1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride
SMILESCN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.Cl.Cl
InChIInChI=1S/C18H20Cl2N2.2ClH/c1-21-10-12-22(13-11-21)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15;;/h2-9,18H,10-13H2,1H3;2*1H
InChIKeyAYSKQNXSAOXFLF-UHFFFAOYSA-N
XLogP5.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.20
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CID 5393145
1-benzhydryl-4-methylpiperazine
CID 6726
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-[1-benzofuran-2-yl-(4-chlorophenyl)methyl]-4-methylpiperazine
CID 13048632
1-[(1-tert-butyltetrazol-5-yl)-(4-chlorophenyl)methyl]-4-methylpiperazine
CID 3201741
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;1-[(4-chlorophenyl)-phenylmethyl]-4-propylpiperazine;ethane
CID 144798702
6-[(R)-(4-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]-1,3-benzodioxol-5-ol
CID 29135959
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
N-[1-(4-chlorophenyl)ethyl]-4-methylpiperazin-1-amine
CID 83009968
1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448688
1-[(S)-(4-chlorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1433955
1-[(S)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448690

Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride?
The IUPAC name of 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride (CID 3065514) is 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride.
What is the SMILES notation for 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride?
The canonical SMILES for 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride is CN1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.Cl.Cl.
What is the InChIKey of 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride?
The InChIKey is AYSKQNXSAOXFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2.2ClH/c1-21-10-12-22(13-11-21)18(14-2-6-16(19)7-3-14)15-4-8-17(20)9-5-15;;/h2-9,18H,10-13H2,1H3;2*1H.
What are the key properties of 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride?
1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride has a molecular weight of 408.20 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride is sourced from PubChem (CID 3065514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).