N,N-di(piperazin-2-yl)piperazin-2-amine

C12H27N7 — CID 174866401

IUPACN,N-di(piperazin-2-yl)piperazin-2-amine
SMILESC1CNC(N(C2CNCCN2)C2CNCCN2)CN1
InChIInChI=1S/C12H27N7/c1-4-16-10(7-13-1)19(11-8-14-2-5-17-11)12-9-15-3-6-18-12/h10-18H,1-9H2
InChIKeyXHCYFLKJNDTPMV-UHFFFAOYSA-N
MW269.40 g/mol
LogP-3.15
Rot. Bonds3

About N,N-di(piperazin-2-yl)piperazin-2-amine

N,N-di(piperazin-2-yl)piperazin-2-amine (PubChem CID 174866401) has the molecular formula C12H27N7 and a molecular weight of 269.40 g/mol. Its IUPAC name is N,N-di(piperazin-2-yl)piperazin-2-amine.

Molecular Properties

Compound NameN,N-di(piperazin-2-yl)piperazin-2-amine
PubChem CID174866401
Molecular FormulaC12H27N7
Molecular Weight269.40 g/mol
Exact Mass269.23
IUPAC NameN,N-di(piperazin-2-yl)piperazin-2-amine
SMILESC1CNC(N(C2CNCCN2)C2CNCCN2)CN1
InChIInChI=1S/C12H27N7/c1-4-16-10(7-13-1)19(11-8-14-2-5-17-11)12-9-15-3-6-18-12/h10-18H,1-9H2
InChIKeyXHCYFLKJNDTPMV-UHFFFAOYSA-N
XLogP-3.15
TPSA75.42 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.40
LogP ≤ 5-3.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

2-[piperazin-2-yl(propyl)amino]ethanol
CID 67699377
2,5,8-triazabicyclo[5.2.1]decane
CID 118210198
trans-(2S,8S)-2,8-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 14942559
2-methylpiperazine;hydrate
CID 141084178
(2R)-piperazin-2-ol;hydrochloride
CID 139968437
2,5-dimethyl-1,4,7-triazonane
CID 66663266
(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 70323374
2-methylpiperazine;molecular hydrogen
CID 143777491
azane;2-methylpiperazine;dihydrochloride
CID 174255785
1-piperazin-2-ylazocane
CID 21324979
2-[2-(2-piperazin-2-ylpropan-2-yloxy)propan-2-yl]piperazine
CID 141121547
3-methyl-1,4,7,10-tetrazacyclotridecane
CID 134246892

Frequently Asked Questions

What is the IUPAC name of N,N-di(piperazin-2-yl)piperazin-2-amine?
The IUPAC name of N,N-di(piperazin-2-yl)piperazin-2-amine (CID 174866401) is N,N-di(piperazin-2-yl)piperazin-2-amine.
What is the SMILES notation for N,N-di(piperazin-2-yl)piperazin-2-amine?
The canonical SMILES for N,N-di(piperazin-2-yl)piperazin-2-amine is C1CNC(N(C2CNCCN2)C2CNCCN2)CN1.
What is the InChIKey of N,N-di(piperazin-2-yl)piperazin-2-amine?
The InChIKey is XHCYFLKJNDTPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N7/c1-4-16-10(7-13-1)19(11-8-14-2-5-17-11)12-9-15-3-6-18-12/h10-18H,1-9H2.
What are the key properties of N,N-di(piperazin-2-yl)piperazin-2-amine?
N,N-di(piperazin-2-yl)piperazin-2-amine has a molecular weight of 269.40 g/mol, XLogP of -3.15, 3 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(piperazin-2-yl)piperazin-2-amine is sourced from PubChem (CID 174866401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).