1-(1-phenylcyclopropyl)piperazine;dihydrochloride

C13H20Cl2N2 — CID 53407087

IUPAC1-(1-phenylcyclopropyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(C2(N3CCNCC3)CC2)cc1
InChIInChI=1S/C13H18N2.2ClH/c1-2-4-12(5-3-1)13(6-7-13)15-10-8-14-9-11-15;;/h1-5,14H,6-11H2;2*1H
InChIKeyZEFYQVRANFGZER-UHFFFAOYSA-N
MW275.22 g/mol
LogP2.42
Rot. Bonds2

About 1-(1-phenylcyclopropyl)piperazine;dihydrochloride

1-(1-phenylcyclopropyl)piperazine;dihydrochloride (PubChem CID 53407087) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 1-(1-phenylcyclopropyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(1-phenylcyclopropyl)piperazine;dihydrochloride
PubChem CID53407087
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name1-(1-phenylcyclopropyl)piperazine;dihydrochloride
SMILESCl.Cl.c1ccc(C2(N3CCNCC3)CC2)cc1
InChIInChI=1S/C13H18N2.2ClH/c1-2-4-12(5-3-1)13(6-7-13)15-10-8-14-9-11-15;;/h1-5,14H,6-11H2;2*1H
InChIKeyZEFYQVRANFGZER-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclopropyl)piperazine;dihydrochloride?
The IUPAC name of 1-(1-phenylcyclopropyl)piperazine;dihydrochloride (CID 53407087) is 1-(1-phenylcyclopropyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(1-phenylcyclopropyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(1-phenylcyclopropyl)piperazine;dihydrochloride is Cl.Cl.c1ccc(C2(N3CCNCC3)CC2)cc1.
What is the InChIKey of 1-(1-phenylcyclopropyl)piperazine;dihydrochloride?
The InChIKey is ZEFYQVRANFGZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.2ClH/c1-2-4-12(5-3-1)13(6-7-13)15-10-8-14-9-11-15;;/h1-5,14H,6-11H2;2*1H.
What are the key properties of 1-(1-phenylcyclopropyl)piperazine;dihydrochloride?
1-(1-phenylcyclopropyl)piperazine;dihydrochloride has a molecular weight of 275.22 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclopropyl)piperazine;dihydrochloride is sourced from PubChem (CID 53407087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).