2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine

C13H28N4 — CID 54126811

IUPAC2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine
SMILESCCN1CCC(N2CCN(CCN)CC2)CC1
InChIInChI=1S/C13H28N4/c1-2-15-6-3-13(4-7-15)17-11-9-16(8-5-14)10-12-17/h13H,2-12,14H2,1H3
InChIKeyNRNNZIGKWHABAL-UHFFFAOYSA-N
MW240.39 g/mol
LogP0.05
Rot. Bonds4

About 2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine

2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine (PubChem CID 54126811) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine
PubChem CID54126811
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine
SMILESCCN1CCC(N2CCN(CCN)CC2)CC1
InChIInChI=1S/C13H28N4/c1-2-15-6-3-13(4-7-15)17-11-9-16(8-5-14)10-12-17/h13H,2-12,14H2,1H3
InChIKeyNRNNZIGKWHABAL-UHFFFAOYSA-N
XLogP0.05
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4'-Bipiperidine
CID 78607
1-Methyl-4-(piperidin-4-yl)piperazine
CID 795707
1-(2-Piperidinylmethyl)piperidine
CID 254290
3-amino-N-ethylpiperidine
CID 98094
1-(Piperidin-4-yl)piperazine
CID 15386099
4-methyl-N-(1-methylpiperidin-4-yl)piperazin-1-amine
CID 784307
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
1-(1-Methyl-4-piperidinyl)piperazine
CID 566324
Bis(3-aminopropyl)piperazine
CID 22056761
1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 2761147
2-(2-Methylpiperidin-1-yl)ethan-1-amine
CID 3149263
1-Butylpiperidin-4-amine
CID 12262820

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine (CID 54126811) is 2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine is CCN1CCC(N2CCN(CCN)CC2)CC1.
What is the InChIKey of 2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine?
The InChIKey is NRNNZIGKWHABAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-2-15-6-3-13(4-7-15)17-11-9-16(8-5-14)10-12-17/h13H,2-12,14H2,1H3.
What are the key properties of 2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine?
2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine has a molecular weight of 240.39 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 54126811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).