1-benzhydryl-4-methylpiperazine

C18H22N2 — CID 6726

IUPAC1-benzhydryl-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyUVKZSORBKUEBAZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.02
Rot. Bonds3

About 1-benzhydryl-4-methylpiperazine

1-benzhydryl-4-methylpiperazine (PubChem CID 6726) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-benzhydryl-4-methylpiperazine.

Molecular Properties

Compound Name1-benzhydryl-4-methylpiperazine
PubChem CID6726
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name1-benzhydryl-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3
InChIKeyUVKZSORBKUEBAZ-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane
CID 5393145
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
CID 12063609
1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
1-(1-benzhydrylazetidin-3-yl)-4-methylpiperazine;ethane
CID 90779796
1-[bis(4-chlorophenyl)methyl]-4-methylpiperazine;dihydrochloride
CID 3065514
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-benzhydryl-4-butylpiperazine
CID 13416419
4-(4-benzhydrylpiperazin-1-yl)butan-2-amine
CID 71433044
1-benzhydryl-4-(2-piperidin-1-ylethyl)piperazine
CID 71411855
2-(4-methylpiperazin-1-yl)-1-phenylpropan-1-amine
CID 16786190

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-methylpiperazine?
The IUPAC name of 1-benzhydryl-4-methylpiperazine (CID 6726) is 1-benzhydryl-4-methylpiperazine.
What is the SMILES notation for 1-benzhydryl-4-methylpiperazine?
The canonical SMILES for 1-benzhydryl-4-methylpiperazine is CN1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-benzhydryl-4-methylpiperazine?
The InChIKey is UVKZSORBKUEBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3.
What are the key properties of 1-benzhydryl-4-methylpiperazine?
1-benzhydryl-4-methylpiperazine has a molecular weight of 266.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-methylpiperazine is sourced from PubChem (CID 6726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).