1-(2-benzylphenyl)-4-methylpiperazine

C18H22N2 — CID 3058753

IUPAC1-(2-benzylphenyl)-4-methylpiperazine
SMILESCN1CCN(c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2/c1-19-11-13-20(14-12-19)18-10-6-5-9-17(18)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeySDJWUEKTZZQYLK-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.03
Rot. Bonds3

About 1-(2-benzylphenyl)-4-methylpiperazine

1-(2-benzylphenyl)-4-methylpiperazine (PubChem CID 3058753) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-benzylphenyl)-4-methylpiperazine
PubChem CID3058753
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-(2-benzylphenyl)-4-methylpiperazine
SMILESCN1CCN(c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C18H22N2/c1-19-11-13-20(14-12-19)18-10-6-5-9-17(18)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeySDJWUEKTZZQYLK-UHFFFAOYSA-N
XLogP3.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Desipramine
CID 2995
Imipramine
CID 3696
Mianserin
CID 4184
Opipramol
CID 9417
Trimipramine
CID 5584
Leucomalachite green
CID 67215
Imipramine Hydrochloride
CID 8228
Desipramine Hydrochloride
CID 65327
Bis(p-(dimethylamino)phenyl)methane
CID 7567
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Mianserin Hydrochloride
CID 68551

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(2-benzylphenyl)-4-methylpiperazine (CID 3058753) is 1-(2-benzylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-benzylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-benzylphenyl)-4-methylpiperazine is CN1CCN(c2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of 1-(2-benzylphenyl)-4-methylpiperazine?
The InChIKey is SDJWUEKTZZQYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-19-11-13-20(14-12-19)18-10-6-5-9-17(18)15-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of 1-(2-benzylphenyl)-4-methylpiperazine?
1-(2-benzylphenyl)-4-methylpiperazine has a molecular weight of 266.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-4-methylpiperazine is sourced from PubChem (CID 3058753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).