1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride

C24H34ClN3 — CID 68752375

IUPAC1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride
SMILESCc1ccc(N2CCNCC2C2CCN(CCc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C24H33N3.ClH/c1-20-7-9-23(10-8-20)27-18-14-25-19-24(27)22-12-16-26(17-13-22)15-11-21-5-3-2-4-6-21;/h2-10,22,24-25H,11-19H2,1H3;1H
InChIKeyRGOVIVCCDKEMMG-UHFFFAOYSA-N
MW400.01 g/mol
LogP4.15
Rot. Bonds5

About 1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride

1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride (PubChem CID 68752375) has the molecular formula C24H34ClN3 and a molecular weight of 400.01 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride
PubChem CID68752375
Molecular FormulaC24H34ClN3
Molecular Weight400.01 g/mol
Exact Mass399.24
IUPAC Name1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride
SMILESCc1ccc(N2CCNCC2C2CCN(CCc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C24H33N3.ClH/c1-20-7-9-23(10-8-20)27-18-14-25-19-24(27)22-12-16-26(17-13-22)15-11-21-5-3-2-4-6-21;/h2-10,22,24-25H,11-19H2,1H3;1H
InChIKeyRGOVIVCCDKEMMG-UHFFFAOYSA-N
XLogP4.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.01
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride (CID 68752375) is 1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride is Cc1ccc(N2CCNCC2C2CCN(CCc3ccccc3)CC2)cc1.Cl.
What is the InChIKey of 1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride?
The InChIKey is RGOVIVCCDKEMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3.ClH/c1-20-7-9-23(10-8-20)27-18-14-25-19-24(27)22-12-16-26(17-13-22)15-11-21-5-3-2-4-6-21;/h2-10,22,24-25H,11-19H2,1H3;1H.
What are the key properties of 1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride?
1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride has a molecular weight of 400.01 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]piperazine;hydrochloride is sourced from PubChem (CID 68752375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).