1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine

C12H22N2 — CID 69188306

IUPAC1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine
SMILESC=CCN1CCCCC1C1CCNC1
InChIInChI=1S/C12H22N2/c1-2-8-14-9-4-3-5-12(14)11-6-7-13-10-11/h2,11-13H,1,3-10H2
InChIKeyUUAFPHRMWJJKRF-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.64
Rot. Bonds3

About 1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine

1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine (PubChem CID 69188306) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine
PubChem CID69188306
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine
SMILESC=CCN1CCCCC1C1CCNC1
InChIInChI=1S/C12H22N2/c1-2-8-14-9-4-3-5-12(14)11-6-7-13-10-11/h2,11-13H,1,3-10H2
InChIKeyUUAFPHRMWJJKRF-UHFFFAOYSA-N
XLogP1.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
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-prop-2-enyl-2-pyrrolidin-3-ylpiperidine?
The IUPAC name of 1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine (CID 69188306) is 1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine is C=CCN1CCCCC1C1CCNC1.
What is the InChIKey of 1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine?
The InChIKey is UUAFPHRMWJJKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-8-14-9-4-3-5-12(14)11-6-7-13-10-11/h2,11-13H,1,3-10H2.
What are the key properties of 1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine?
1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine has a molecular weight of 194.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 69188306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).