1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride

C28H36Cl2N2O — CID 11957553

IUPAC1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2O.2ClH/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27;;/h1-9,11-12,14-17,28H,10,13,18-24H2;2*1H
InChIKeyNQWRSILGEXNJIT-UHFFFAOYSA-N
MW487.52 g/mol
LogP5.89
Rot. Bonds10

About 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride

1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride (PubChem CID 11957553) has the molecular formula C28H36Cl2N2O and a molecular weight of 487.52 g/mol. Its IUPAC name is 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride
PubChem CID11957553
Molecular FormulaC28H36Cl2N2O
Molecular Weight487.52 g/mol
Exact Mass486.22
IUPAC Name1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2O.2ClH/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27;;/h1-9,11-12,14-17,28H,10,13,18-24H2;2*1H
InChIKeyNQWRSILGEXNJIT-UHFFFAOYSA-N
XLogP5.89
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride?
The IUPAC name of 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride (CID 11957553) is 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride is Cl.Cl.c1ccc(CCCN2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride?
The InChIKey is NQWRSILGEXNJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O.2ClH/c1-4-11-25(12-5-1)13-10-18-29-19-21-30(22-20-29)23-24-31-28(26-14-6-2-7-15-26)27-16-8-3-9-17-27;;/h1-9,11-12,14-17,28H,10,13,18-24H2;2*1H.
What are the key properties of 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride?
1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride has a molecular weight of 487.52 g/mol, XLogP of 5.89, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzhydryloxyethyl)-4-(3-phenylpropyl)piperazine;dihydrochloride is sourced from PubChem (CID 11957553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).