1-[(Z)-but-2-enyl]-4-ethylpiperidine

C11H21N — CID 145238229

IUPAC1-[(Z)-but-2-enyl]-4-ethylpiperidine
SMILESC/C=C\CN1CCC(CC)CC1
InChIInChI=1S/C11H21N/c1-3-5-8-12-9-6-11(4-2)7-10-12/h3,5,11H,4,6-10H2,1-2H3/b5-3-
InChIKeyHUNAFJINVNHYIV-HYXAFXHYSA-N
MW167.30 g/mol
LogP2.68
Rot. Bonds3

About 1-[(Z)-but-2-enyl]-4-ethylpiperidine

1-[(Z)-but-2-enyl]-4-ethylpiperidine (PubChem CID 145238229) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-[(Z)-but-2-enyl]-4-ethylpiperidine.

Molecular Properties

Compound Name1-[(Z)-but-2-enyl]-4-ethylpiperidine
PubChem CID145238229
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-[(Z)-but-2-enyl]-4-ethylpiperidine
SMILESC/C=C\CN1CCC(CC)CC1
InChIInChI=1S/C11H21N/c1-3-5-8-12-9-6-11(4-2)7-10-12/h3,5,11H,4,6-10H2,1-2H3/b5-3-
InChIKeyHUNAFJINVNHYIV-HYXAFXHYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(Z)-but-2-enyl]-4-ethylpiperidine?
The IUPAC name of 1-[(Z)-but-2-enyl]-4-ethylpiperidine (CID 145238229) is 1-[(Z)-but-2-enyl]-4-ethylpiperidine.
What is the SMILES notation for 1-[(Z)-but-2-enyl]-4-ethylpiperidine?
The canonical SMILES for 1-[(Z)-but-2-enyl]-4-ethylpiperidine is C/C=C\CN1CCC(CC)CC1.
What is the InChIKey of 1-[(Z)-but-2-enyl]-4-ethylpiperidine?
The InChIKey is HUNAFJINVNHYIV-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-5-8-12-9-6-11(4-2)7-10-12/h3,5,11H,4,6-10H2,1-2H3/b5-3-.
What are the key properties of 1-[(Z)-but-2-enyl]-4-ethylpiperidine?
1-[(Z)-but-2-enyl]-4-ethylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-enyl]-4-ethylpiperidine is sourced from PubChem (CID 145238229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).