1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine

C12H24N4 — CID 177134968

IUPAC1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine
SMILESC=C(C1CCN(C(C)N)C1)N1CCNCC1
InChIInChI=1S/C12H24N4/c1-10(15-7-4-14-5-8-15)12-3-6-16(9-12)11(2)13/h11-12,14H,1,3-9,13H2,2H3
InChIKeyMSUDSAWECVJKIE-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.03
Rot. Bonds3

About 1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine

1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine (PubChem CID 177134968) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine
PubChem CID177134968
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine
SMILESC=C(C1CCN(C(C)N)C1)N1CCNCC1
InChIInChI=1S/C12H24N4/c1-10(15-7-4-14-5-8-15)12-3-6-16(9-12)11(2)13/h11-12,14H,1,3-9,13H2,2H3
InChIKeyMSUDSAWECVJKIE-UHFFFAOYSA-N
XLogP0.03
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine (CID 177134968) is 1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine is C=C(C1CCN(C(C)N)C1)N1CCNCC1.
What is the InChIKey of 1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine?
The InChIKey is MSUDSAWECVJKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10(15-7-4-14-5-8-15)12-3-6-16(9-12)11(2)13/h11-12,14H,1,3-9,13H2,2H3.
What are the key properties of 1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine?
1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine has a molecular weight of 224.35 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-piperazin-1-ylethenyl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 177134968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).