1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride

C24H33Cl2FN2 — CID 132990928

IUPAC1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(C(Cc2ccccc2)N2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C24H31FN2.2ClH/c25-22-11-7-10-21(19-22)24(18-20-8-3-1-4-9-20)27-16-14-26(15-17-27)23-12-5-2-6-13-23;;/h1,3-4,7-11,19,23-24H,2,5-6,12-18H2;2*1H
InChIKeyBHNCRDCBSUJVEF-UHFFFAOYSA-N
MW439.45 g/mol
LogP5.90
Rot. Bonds5

About 1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride

1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride (PubChem CID 132990928) has the molecular formula C24H33Cl2FN2 and a molecular weight of 439.45 g/mol. Its IUPAC name is 1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride
PubChem CID132990928
Molecular FormulaC24H33Cl2FN2
Molecular Weight439.45 g/mol
Exact Mass438.20
IUPAC Name1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1cccc(C(Cc2ccccc2)N2CCN(C3CCCCC3)CC2)c1
InChIInChI=1S/C24H31FN2.2ClH/c25-22-11-7-10-21(19-22)24(18-20-8-3-1-4-9-20)27-16-14-26(15-17-27)23-12-5-2-6-13-23;;/h1,3-4,7-11,19,23-24H,2,5-6,12-18H2;2*1H
InChIKeyBHNCRDCBSUJVEF-UHFFFAOYSA-N
XLogP5.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride?
The IUPAC name of 1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride (CID 132990928) is 1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride is Cl.Cl.Fc1cccc(C(Cc2ccccc2)N2CCN(C3CCCCC3)CC2)c1.
What is the InChIKey of 1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride?
The InChIKey is BHNCRDCBSUJVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2.2ClH/c25-22-11-7-10-21(19-22)24(18-20-8-3-1-4-9-20)27-16-14-26(15-17-27)23-12-5-2-6-13-23;;/h1,3-4,7-11,19,23-24H,2,5-6,12-18H2;2*1H.
What are the key properties of 1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride?
1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride has a molecular weight of 439.45 g/mol, XLogP of 5.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[1-(3-fluorophenyl)-2-phenylethyl]piperazine;dihydrochloride is sourced from PubChem (CID 132990928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).