N,N-diethyl-3-piperazin-1-ylpropan-1-amine

C11H25N3 — CID 2736106

IUPACN,N-diethyl-3-piperazin-1-ylpropan-1-amine
SMILESCCN(CC)CCCN1CCNCC1
InChIInChI=1S/C11H25N3/c1-3-13(4-2)8-5-9-14-10-6-12-7-11-14/h12H,3-11H2,1-2H3
InChIKeyGNKLMCASMJQZKH-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.62
Rot. Bonds6

About N,N-diethyl-3-piperazin-1-ylpropan-1-amine

N,N-diethyl-3-piperazin-1-ylpropan-1-amine (PubChem CID 2736106) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N,N-diethyl-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-piperazin-1-ylpropan-1-amine
PubChem CID2736106
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN,N-diethyl-3-piperazin-1-ylpropan-1-amine
SMILESCCN(CC)CCCN1CCNCC1
InChIInChI=1S/C11H25N3/c1-3-13(4-2)8-5-9-14-10-6-12-7-11-14/h12H,3-11H2,1-2H3
InChIKeyGNKLMCASMJQZKH-UHFFFAOYSA-N
XLogP0.62
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Bis(3-aminopropyl)piperazine
CID 81629
1-Isopropylpiperazine
CID 78013
1-(2-(Dimethylamino)ethyl)piperazine
CID 2736229
1-(3-Aminopropyl)-4-methylpiperazine
CID 78328
1-(2-Methylpropyl)piperazine
CID 2052052
1-Pentylpiperazine
CID 2737112
2,3,5,6-Tetramethylpiperazine
CID 521970
N-(2-(1-Piperazinyl)ethyl)ethylenediamine
CID 90347
Dimethylpiperazine
CID 198037
1-Butylpiperazine
CID 424322
1-Hexylpiperazine
CID 2736513
N-Propylpiperazinium dibromide
CID 3085288

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N,N-diethyl-3-piperazin-1-ylpropan-1-amine (CID 2736106) is N,N-diethyl-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N,N-diethyl-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N,N-diethyl-3-piperazin-1-ylpropan-1-amine is CCN(CC)CCCN1CCNCC1.
What is the InChIKey of N,N-diethyl-3-piperazin-1-ylpropan-1-amine?
The InChIKey is GNKLMCASMJQZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-3-13(4-2)8-5-9-14-10-6-12-7-11-14/h12H,3-11H2,1-2H3.
What are the key properties of N,N-diethyl-3-piperazin-1-ylpropan-1-amine?
N,N-diethyl-3-piperazin-1-ylpropan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 2736106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).