1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride

C17H19Cl3N2O — CID 70693472

IUPAC1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride
SMILESCl.Clc1cc(N2CCNCC2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C17H18Cl2N2O.ClH/c18-15-10-14(21-8-6-20-7-9-21)11-16(19)17(15)22-12-13-4-2-1-3-5-13;/h1-5,10-11,20H,6-9,12H2;1H
InChIKeyREUZVBBHDTXGFP-UHFFFAOYSA-N
MW373.71 g/mol
LogP4.40
Rot. Bonds4

About 1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride

1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride (PubChem CID 70693472) has the molecular formula C17H19Cl3N2O and a molecular weight of 373.71 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride
PubChem CID70693472
Molecular FormulaC17H19Cl3N2O
Molecular Weight373.71 g/mol
Exact Mass372.06
IUPAC Name1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride
SMILESCl.Clc1cc(N2CCNCC2)cc(Cl)c1OCc1ccccc1
InChIInChI=1S/C17H18Cl2N2O.ClH/c18-15-10-14(21-8-6-20-7-9-21)11-16(19)17(15)22-12-13-4-2-1-3-5-13;/h1-5,10-11,20H,6-9,12H2;1H
InChIKeyREUZVBBHDTXGFP-UHFFFAOYSA-N
XLogP4.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.71
LogP ≤ 54.40
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-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride (CID 70693472) is 1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride is Cl.Clc1cc(N2CCNCC2)cc(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride?
The InChIKey is REUZVBBHDTXGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O.ClH/c18-15-10-14(21-8-6-20-7-9-21)11-16(19)17(15)22-12-13-4-2-1-3-5-13;/h1-5,10-11,20H,6-9,12H2;1H.
What are the key properties of 1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride?
1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride has a molecular weight of 373.71 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-phenylmethoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 70693472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).