3-piperidin-1-ylpent-4-enenitrile

C10H16N2 — CID 66607226

IUPAC3-piperidin-1-ylpent-4-enenitrile
SMILESC=CC(CC#N)N1CCCCC1
InChIInChI=1S/C10H16N2/c1-2-10(6-7-11)12-8-4-3-5-9-12/h2,10H,1,3-6,8-9H2
InChIKeyJQTMKMWYMROXBM-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.94
Rot. Bonds3

About 3-piperidin-1-ylpent-4-enenitrile

3-piperidin-1-ylpent-4-enenitrile (PubChem CID 66607226) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-piperidin-1-ylpent-4-enenitrile.

Molecular Properties

Compound Name3-piperidin-1-ylpent-4-enenitrile
PubChem CID66607226
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-piperidin-1-ylpent-4-enenitrile
SMILESC=CC(CC#N)N1CCCCC1
InChIInChI=1S/C10H16N2/c1-2-10(6-7-11)12-8-4-3-5-9-12/h2,10H,1,3-6,8-9H2
InChIKeyJQTMKMWYMROXBM-UHFFFAOYSA-N
XLogP1.94
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.94
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 3-piperidin-1-ylpent-4-enenitrile?
The IUPAC name of 3-piperidin-1-ylpent-4-enenitrile (CID 66607226) is 3-piperidin-1-ylpent-4-enenitrile.
What is the SMILES notation for 3-piperidin-1-ylpent-4-enenitrile?
The canonical SMILES for 3-piperidin-1-ylpent-4-enenitrile is C=CC(CC#N)N1CCCCC1.
What is the InChIKey of 3-piperidin-1-ylpent-4-enenitrile?
The InChIKey is JQTMKMWYMROXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-2-10(6-7-11)12-8-4-3-5-9-12/h2,10H,1,3-6,8-9H2.
What are the key properties of 3-piperidin-1-ylpent-4-enenitrile?
3-piperidin-1-ylpent-4-enenitrile has a molecular weight of 164.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpent-4-enenitrile is sourced from PubChem (CID 66607226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).