1-benzhydryl-4-methylpiperazin-4-ium chloride

C18H23ClN2 — CID 517299

IUPAC1-benzhydryl-4-methylpiperazin-4-ium chloride
SMILESC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C18H22N2.ClH/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;1H
InChIKeyUKPBEPCQTDRZSE-UHFFFAOYSA-N
MW302.85 g/mol
LogP-1.39
Rot. Bonds3

About 1-benzhydryl-4-methylpiperazin-4-ium chloride

1-benzhydryl-4-methylpiperazin-4-ium chloride (PubChem CID 517299) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-benzhydryl-4-methylpiperazin-4-ium chloride.

Molecular Properties

Compound Name1-benzhydryl-4-methylpiperazin-4-ium chloride
PubChem CID517299
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-benzhydryl-4-methylpiperazin-4-ium chloride
SMILESC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1.[Cl-]
InChIInChI=1S/C18H22N2.ClH/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;1H
InChIKeyUKPBEPCQTDRZSE-UHFFFAOYSA-N
XLogP-1.39
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-benzhydryl-4-methylpiperazin-4-ium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzhydryl-4-methylpiperazine
CID 6726
1-benzhydryl-4-propan-2-ylpiperazine;2-methylpropane
CID 164924895
1-(4-benzhydrylpiperazin-1-yl)ethanamine
CID 68974612
1-benzhydryl-4-ethylpiperazine;ethane
CID 156743025
1-benzhydryl-4-but-2-ynylpiperazine
CID 20795218
1-[phenyl(pyridin-4-yl)methyl]piperazine
CID 5035634
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
1-[(S)-(4-chlorophenyl)-phenylmethyl]-4-propan-2-ylpiperazine
CID 118119340
1-[(4-bromophenyl)-phenylmethyl]pyrrolidine
CID 53217465
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
4-benzhydryl-1-ethyl-1-propan-2-ylpiperazin-1-ium iodide
CID 3030230
1-benzhydryl-4-butylpiperazine
CID 13416419

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-methylpiperazin-4-ium chloride?
The IUPAC name of 1-benzhydryl-4-methylpiperazin-4-ium chloride (CID 517299) is 1-benzhydryl-4-methylpiperazin-4-ium chloride.
What is the SMILES notation for 1-benzhydryl-4-methylpiperazin-4-ium chloride?
The canonical SMILES for 1-benzhydryl-4-methylpiperazin-4-ium chloride is C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1.[Cl-].
What is the InChIKey of 1-benzhydryl-4-methylpiperazin-4-ium chloride?
The InChIKey is UKPBEPCQTDRZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2.ClH/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;1H.
What are the key properties of 1-benzhydryl-4-methylpiperazin-4-ium chloride?
1-benzhydryl-4-methylpiperazin-4-ium chloride has a molecular weight of 302.85 g/mol, XLogP of -1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-4-methylpiperazin-4-ium chloride is sourced from PubChem (CID 517299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).