1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine

C12H23N3 — CID 58440434

IUPAC1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine
SMILESC=C(CN1CCN(C)CC1)N1CCCC1
InChIInChI=1S/C12H23N3/c1-12(15-5-3-4-6-15)11-14-9-7-13(2)8-10-14/h1,3-11H2,2H3
InChIKeyQDUXXNYMKPNKKE-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.84
Rot. Bonds3

About 1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine

1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine (PubChem CID 58440434) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine
PubChem CID58440434
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine
SMILESC=C(CN1CCN(C)CC1)N1CCCC1
InChIInChI=1S/C12H23N3/c1-12(15-5-3-4-6-15)11-14-9-7-13(2)8-10-14/h1,3-11H2,2H3
InChIKeyQDUXXNYMKPNKKE-UHFFFAOYSA-N
XLogP0.84
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine?
The IUPAC name of 1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine (CID 58440434) is 1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine.
What is the SMILES notation for 1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine?
The canonical SMILES for 1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine is C=C(CN1CCN(C)CC1)N1CCCC1.
What is the InChIKey of 1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine?
The InChIKey is QDUXXNYMKPNKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(15-5-3-4-6-15)11-14-9-7-13(2)8-10-14/h1,3-11H2,2H3.
What are the key properties of 1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine?
1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine has a molecular weight of 209.34 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-pyrrolidin-1-ylprop-2-enyl)piperazine is sourced from PubChem (CID 58440434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).