bis(1-(2-phenylethyl)piperazine);dihydrochloride

C24H38Cl2N4 — CID 102602644

IUPACbis(1-(2-phenylethyl)piperazine);dihydrochloride
SMILESCl.Cl.c1ccc(CCN2CCNCC2)cc1.c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/2C12H18N2.2ClH/c2*1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14;;/h2*1-5,13H,6-11H2;2*1H
InChIKeyCWHJOLJDSJUWIH-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.11
Rot. Bonds6

About bis(1-(2-phenylethyl)piperazine);dihydrochloride

bis(1-(2-phenylethyl)piperazine);dihydrochloride (PubChem CID 102602644) has the molecular formula C24H38Cl2N4 and a molecular weight of 453.50 g/mol. Its IUPAC name is bis(1-(2-phenylethyl)piperazine);dihydrochloride.

Molecular Properties

Compound Namebis(1-(2-phenylethyl)piperazine);dihydrochloride
PubChem CID102602644
Molecular FormulaC24H38Cl2N4
Molecular Weight453.50 g/mol
Exact Mass452.25
IUPAC Namebis(1-(2-phenylethyl)piperazine);dihydrochloride
SMILESCl.Cl.c1ccc(CCN2CCNCC2)cc1.c1ccc(CCN2CCNCC2)cc1
InChIInChI=1S/2C12H18N2.2ClH/c2*1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14;;/h2*1-5,13H,6-11H2;2*1H
InChIKeyCWHJOLJDSJUWIH-UHFFFAOYSA-N
XLogP3.11
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-1,4,8,11-tetrazacyclotetradecane
CID 14869439
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
CID 134565672
1-[1-(2-phenylethyl)azetidin-3-yl]piperazine
CID 66203365
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
2-[4-(2-piperazin-1-ylethyl)phenyl]ethanol
CID 84797085
N-benzyl-2-piperazin-1-ylethanamine
CID 14900561
4-[2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethyl]aniline
CID 15294221
1-(azetidin-3-yl)-4-(2-phenylethyl)piperazine
CID 66202494
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526

Frequently Asked Questions

What is the IUPAC name of bis(1-(2-phenylethyl)piperazine);dihydrochloride?
The IUPAC name of bis(1-(2-phenylethyl)piperazine);dihydrochloride (CID 102602644) is bis(1-(2-phenylethyl)piperazine);dihydrochloride.
What is the SMILES notation for bis(1-(2-phenylethyl)piperazine);dihydrochloride?
The canonical SMILES for bis(1-(2-phenylethyl)piperazine);dihydrochloride is Cl.Cl.c1ccc(CCN2CCNCC2)cc1.c1ccc(CCN2CCNCC2)cc1.
What is the InChIKey of bis(1-(2-phenylethyl)piperazine);dihydrochloride?
The InChIKey is CWHJOLJDSJUWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18N2.2ClH/c2*1-2-4-12(5-3-1)6-9-14-10-7-13-8-11-14;;/h2*1-5,13H,6-11H2;2*1H.
What are the key properties of bis(1-(2-phenylethyl)piperazine);dihydrochloride?
bis(1-(2-phenylethyl)piperazine);dihydrochloride has a molecular weight of 453.50 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2-phenylethyl)piperazine);dihydrochloride is sourced from PubChem (CID 102602644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).