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

C14H27N3 — CID 70027358

IUPAC1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine
SMILESCC=C(CN1CCCC1)C(C)N1CCNCC1
InChIInChI=1S/C14H27N3/c1-3-14(12-16-8-4-5-9-16)13(2)17-10-6-15-7-11-17/h3,13,15H,4-12H2,1-2H3
InChIKeyFLKOJIHTMSSPOV-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.32
Rot. Bonds4

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

1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine (PubChem CID 70027358) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine
PubChem CID70027358
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine
SMILESCC=C(CN1CCCC1)C(C)N1CCNCC1
InChIInChI=1S/C14H27N3/c1-3-14(12-16-8-4-5-9-16)13(2)17-10-6-15-7-11-17/h3,13,15H,4-12H2,1-2H3
InChIKeyFLKOJIHTMSSPOV-UHFFFAOYSA-N
XLogP1.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.32
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-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine?
The IUPAC name of 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine (CID 70027358) is 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine is CC=C(CN1CCCC1)C(C)N1CCNCC1.
What is the InChIKey of 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine?
The InChIKey is FLKOJIHTMSSPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-14(12-16-8-4-5-9-16)13(2)17-10-6-15-7-11-17/h3,13,15H,4-12H2,1-2H3.
What are the key properties of 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine?
1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine has a molecular weight of 237.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperazine is sourced from PubChem (CID 70027358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).