1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine

C16H31N3 — CID 70025617

IUPAC1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
SMILESCC=C(CCN1CCCC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H31N3/c1-4-15(7-12-18-10-5-6-11-18)16(2,3)19-13-8-17-9-14-19/h4,17H,5-14H2,1-3H3
InChIKeyJSXNJEYMURPAAW-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.10
Rot. Bonds5

About 1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine

1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine (PubChem CID 70025617) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
PubChem CID70025617
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
SMILESCC=C(CCN1CCCC1)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H31N3/c1-4-15(7-12-18-10-5-6-11-18)16(2,3)19-13-8-17-9-14-19/h4,17H,5-14H2,1-3H3
InChIKeyJSXNJEYMURPAAW-UHFFFAOYSA-N
XLogP2.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine?
The IUPAC name of 1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine (CID 70025617) is 1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine is CC=C(CCN1CCCC1)C(C)(C)N1CCNCC1.
What is the InChIKey of 1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine?
The InChIKey is JSXNJEYMURPAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-4-15(7-12-18-10-5-6-11-18)16(2,3)19-13-8-17-9-14-19/h4,17H,5-14H2,1-3H3.
What are the key properties of 1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine?
1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine has a molecular weight of 265.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine is sourced from PubChem (CID 70025617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).