1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine

C13H24N2 — CID 18547170

IUPAC1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine
SMILESC=C(CN1CCCCC1)CN1CCCC1
InChIInChI=1S/C13H24N2/c1-13(12-15-9-5-6-10-15)11-14-7-3-2-4-8-14/h1-12H2
InChIKeyIPPOVUXTFFGIHA-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.12
Rot. Bonds4

About 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine

1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine (PubChem CID 18547170) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine.

Molecular Properties

Compound Name1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine
PubChem CID18547170
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine
SMILESC=C(CN1CCCCC1)CN1CCCC1
InChIInChI=1S/C13H24N2/c1-13(12-15-9-5-6-10-15)11-14-7-3-2-4-8-14/h1-12H2
InChIKeyIPPOVUXTFFGIHA-UHFFFAOYSA-N
XLogP2.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.12
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-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine?
The IUPAC name of 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine (CID 18547170) is 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine.
What is the SMILES notation for 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine?
The canonical SMILES for 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine is C=C(CN1CCCCC1)CN1CCCC1.
What is the InChIKey of 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine?
The InChIKey is IPPOVUXTFFGIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-13(12-15-9-5-6-10-15)11-14-7-3-2-4-8-14/h1-12H2.
What are the key properties of 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine?
1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine has a molecular weight of 208.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrrolidin-1-ylmethyl)prop-2-enyl]piperidine is sourced from PubChem (CID 18547170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).