1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride

C18H23ClN2O — CID 67717579

IUPAC1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride
SMILESCc1cc(N2CCNCC2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-15-13-17(20-11-9-19-10-12-20)7-8-18(15)21-14-16-5-3-2-4-6-16;/h2-8,13,19H,9-12,14H2,1H3;1H
InChIKeyFGXQGDCRSYTJKB-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.41
Rot. Bonds4

About 1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride

1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride (PubChem CID 67717579) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride
PubChem CID67717579
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride
SMILESCc1cc(N2CCNCC2)ccc1OCc1ccccc1.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-15-13-17(20-11-9-19-10-12-20)7-8-18(15)21-14-16-5-3-2-4-6-16;/h2-8,13,19H,9-12,14H2,1H3;1H
InChIKeyFGXQGDCRSYTJKB-UHFFFAOYSA-N
XLogP3.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride (CID 67717579) is 1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride is Cc1cc(N2CCNCC2)ccc1OCc1ccccc1.Cl.
What is the InChIKey of 1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride?
The InChIKey is FGXQGDCRSYTJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-15-13-17(20-11-9-19-10-12-20)7-8-18(15)21-14-16-5-3-2-4-6-16;/h2-8,13,19H,9-12,14H2,1H3;1H.
What are the key properties of 1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride?
1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-phenylmethoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 67717579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).