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

C15H28N2 — CID 70025410

IUPAC1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine
SMILESCC=C(CN1CCCC1)C(C)N1CCCCC1
InChIInChI=1S/C15H28N2/c1-3-15(13-16-9-7-8-10-16)14(2)17-11-5-4-6-12-17/h3,14H,4-13H2,1-2H3
InChIKeyUIJUVHBLYLQWIO-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.90
Rot. Bonds4

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

1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine (PubChem CID 70025410) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine.

Molecular Properties

Compound Name1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine
PubChem CID70025410
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine
SMILESCC=C(CN1CCCC1)C(C)N1CCCCC1
InChIInChI=1S/C15H28N2/c1-3-15(13-16-9-7-8-10-16)14(2)17-11-5-4-6-12-17/h3,14H,4-13H2,1-2H3
InChIKeyUIJUVHBLYLQWIO-UHFFFAOYSA-N
XLogP2.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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]piperidine?
The IUPAC name of 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine (CID 70025410) is 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine.
What is the SMILES notation for 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine?
The canonical SMILES for 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine is CC=C(CN1CCCC1)C(C)N1CCCCC1.
What is the InChIKey of 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine?
The InChIKey is UIJUVHBLYLQWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-15(13-16-9-7-8-10-16)14(2)17-11-5-4-6-12-17/h3,14H,4-13H2,1-2H3.
What are the key properties of 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine?
1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine has a molecular weight of 236.40 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrrolidin-1-ylmethyl)pent-3-en-2-yl]piperidine is sourced from PubChem (CID 70025410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).