(E)-6-piperidin-1-ylhex-5-enenitrile

C11H18N2 — CID 132597997

IUPAC(E)-6-piperidin-1-ylhex-5-enenitrile
SMILESN#CCCC/C=C/N1CCCCC1
InChIInChI=1S/C11H18N2/c12-8-4-1-2-5-9-13-10-6-3-7-11-13/h5,9H,1-4,6-7,10-11H2/b9-5+
InChIKeyFHROUPIVNVRBLG-WEVVVXLNSA-N
MW178.28 g/mol
LogP2.68
Rot. Bonds4

About (E)-6-piperidin-1-ylhex-5-enenitrile

(E)-6-piperidin-1-ylhex-5-enenitrile (PubChem CID 132597997) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (E)-6-piperidin-1-ylhex-5-enenitrile.

Molecular Properties

Compound Name(E)-6-piperidin-1-ylhex-5-enenitrile
PubChem CID132597997
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(E)-6-piperidin-1-ylhex-5-enenitrile
SMILESN#CCCC/C=C/N1CCCCC1
InChIInChI=1S/C11H18N2/c12-8-4-1-2-5-9-13-10-6-3-7-11-13/h5,9H,1-4,6-7,10-11H2/b9-5+
InChIKeyFHROUPIVNVRBLG-WEVVVXLNSA-N
XLogP2.68
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Piperidino-1-pentene
CID 5371371
1-[(E)-hex-1-enyl]piperidine
CID 12794204
1-(Pent-1-en-1-yl)piperidine
CID 579870
Nicotinonitrile, 1,4-dihydro-1-pentyl-
CID 570978
1-[(1E)-penta-1,4-dienyl]piperidine
CID 12927795
1-(Hex-1-EN-1-YL)piperidine
CID 54163072
4-(3,4-dihydro-2H-pyridin-1-yl)butanenitrile
CID 54237297
1-[(Z)-pent-1-enyl]piperidine
CID 59473835
3-Piperidin-1-ylhex-5-enenitrile
CID 66607122
3-Piperidin-1-ylpent-4-enenitrile
CID 66607226
4-(2-Prop-2-enylpiperidin-1-yl)butanenitrile
CID 70434820
1-Azabicyclo[3.2.1]oct-6-ene-3-carbonitrile
CID 117605973

Frequently Asked Questions

What is the IUPAC name of (E)-6-piperidin-1-ylhex-5-enenitrile?
The IUPAC name of (E)-6-piperidin-1-ylhex-5-enenitrile (CID 132597997) is (E)-6-piperidin-1-ylhex-5-enenitrile.
What is the SMILES notation for (E)-6-piperidin-1-ylhex-5-enenitrile?
The canonical SMILES for (E)-6-piperidin-1-ylhex-5-enenitrile is N#CCCC/C=C/N1CCCCC1.
What is the InChIKey of (E)-6-piperidin-1-ylhex-5-enenitrile?
The InChIKey is FHROUPIVNVRBLG-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H18N2/c12-8-4-1-2-5-9-13-10-6-3-7-11-13/h5,9H,1-4,6-7,10-11H2/b9-5+.
What are the key properties of (E)-6-piperidin-1-ylhex-5-enenitrile?
(E)-6-piperidin-1-ylhex-5-enenitrile has a molecular weight of 178.28 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-piperidin-1-ylhex-5-enenitrile is sourced from PubChem (CID 132597997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).