1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride

C24H34Cl2N2 — CID 3044473

IUPAC1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(CC(c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C24H32N2.2ClH/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23;;/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2;2*1H
InChIKeyPDTBWROWBIVSFO-UHFFFAOYSA-N
MW421.46 g/mol
LogP5.76
Rot. Bonds5

About 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride

1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride (PubChem CID 3044473) has the molecular formula C24H34Cl2N2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride
PubChem CID3044473
Molecular FormulaC24H34Cl2N2
Molecular Weight421.46 g/mol
Exact Mass420.21
IUPAC Name1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(CC(c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C24H32N2.2ClH/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23;;/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2;2*1H
InChIKeyPDTBWROWBIVSFO-UHFFFAOYSA-N
XLogP5.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.46
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride?
The IUPAC name of 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride (CID 3044473) is 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride?
The canonical SMILES for 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride is Cl.Cl.c1ccc(CC(c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride?
The InChIKey is PDTBWROWBIVSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2.2ClH/c1-4-10-21(11-5-1)20-24(22-12-6-2-7-13-22)26-18-16-25(17-19-26)23-14-8-3-9-15-23;;/h1-2,4-7,10-13,23-24H,3,8-9,14-20H2;2*1H.
What are the key properties of 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride?
1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride has a molecular weight of 421.46 g/mol, XLogP of 5.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(1,2-diphenylethyl)piperazine;dihydrochloride is sourced from PubChem (CID 3044473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).