1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine

C15H32N6 — CID 91441427

IUPAC1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
SMILESC1CN(CCN2CCN(CN3CCNCC3)CC2)CCN1
InChIInChI=1S/C15H32N6/c1-5-18(6-2-16-1)9-10-19-11-13-21(14-12-19)15-20-7-3-17-4-8-20/h16-17H,1-15H2
InChIKeyJWJNPBLUMHRYJC-UHFFFAOYSA-N
MW296.46 g/mol
LogP-1.63
Rot. Bonds5

About 1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine

1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine (PubChem CID 91441427) has the molecular formula C15H32N6 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
PubChem CID91441427
Molecular FormulaC15H32N6
Molecular Weight296.46 g/mol
Exact Mass296.27
IUPAC Name1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine
SMILESC1CN(CCN2CCN(CN3CCNCC3)CC2)CCN1
InChIInChI=1S/C15H32N6/c1-5-18(6-2-16-1)9-10-19-11-13-21(14-12-19)15-20-7-3-17-4-8-20/h16-17H,1-15H2
InChIKeyJWJNPBLUMHRYJC-UHFFFAOYSA-N
XLogP-1.63
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanamine
CID 130322012
1-(piperidin-1-ylmethyl)piperazine
CID 20508970
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611
1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
CID 178104627
ethane;4-(2-piperazin-1-ylethyl)morpholine
CID 143985030
1-[2-(aziridin-1-yl)ethyl]aziridine
CID 3009817
1-[(4,4-difluoropiperidin-1-yl)methyl]piperazine
CID 116991229
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
2-piperazin-1-ylethanol;dihydrochloride
CID 21254470

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine?
The IUPAC name of 1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine (CID 91441427) is 1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine.
What is the SMILES notation for 1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine?
The canonical SMILES for 1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine is C1CN(CCN2CCN(CN3CCNCC3)CC2)CCN1.
What is the InChIKey of 1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine?
The InChIKey is JWJNPBLUMHRYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N6/c1-5-18(6-2-16-1)9-10-19-11-13-21(14-12-19)15-20-7-3-17-4-8-20/h16-17H,1-15H2.
What are the key properties of 1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine?
1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine has a molecular weight of 296.46 g/mol, XLogP of -1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethyl)-4-(piperazin-1-ylmethyl)piperazine is sourced from PubChem (CID 91441427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).