1-benzhydryl-4-methylpiperazine;hydrochloride

C18H23ClN2 — CID 6420019

IUPAC1-benzhydryl-4-methylpiperazine;hydrochloride
SMILESCN1CCN(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
LogP3.45
Rot. Bonds3

About 1-benzhydryl-4-methylpiperazine;hydrochloride

1-benzhydryl-4-methylpiperazine;hydrochloride (PubChem CID 6420019) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 1-benzhydryl-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-benzhydryl-4-methylpiperazine;hydrochloride
PubChem CID6420019
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name1-benzhydryl-4-methylpiperazine;hydrochloride
SMILESCN1CCN(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
XLogP3.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-benzhydryl-4-methylpiperazine;hydrochloride (CID 6420019) is 1-benzhydryl-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-benzhydryl-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-benzhydryl-4-methylpiperazine;hydrochloride is CN1CCN(C(c2ccccc2)c2ccccc2)CC1.Cl.
What is the InChIKey of 1-benzhydryl-4-methylpiperazine;hydrochloride?
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-methylpiperazine;hydrochloride?
1-benzhydryl-4-methylpiperazine;hydrochloride has a molecular weight of 302.85 g/mol, XLogP of 3.45, 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;hydrochloride is sourced from PubChem (CID 6420019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).