1-[(Z)-2-ethylbut-2-enyl]piperidine

C11H21N — CID 22628673

IUPAC1-[(Z)-2-ethylbut-2-enyl]piperidine
SMILESC/C=C(/CC)CN1CCCCC1
InChIInChI=1S/C11H21N/c1-3-11(4-2)10-12-8-6-5-7-9-12/h3H,4-10H2,1-2H3/b11-3-
InChIKeyRMSUOTWALYZPNA-JYOAFUTRSA-N
MW167.30 g/mol
LogP2.83
Rot. Bonds3

About 1-[(Z)-2-ethylbut-2-enyl]piperidine

1-[(Z)-2-ethylbut-2-enyl]piperidine (PubChem CID 22628673) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-[(Z)-2-ethylbut-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(Z)-2-ethylbut-2-enyl]piperidine
PubChem CID22628673
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-[(Z)-2-ethylbut-2-enyl]piperidine
SMILESC/C=C(/CC)CN1CCCCC1
InChIInChI=1S/C11H21N/c1-3-11(4-2)10-12-8-6-5-7-9-12/h3H,4-10H2,1-2H3/b11-3-
InChIKeyRMSUOTWALYZPNA-JYOAFUTRSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-tert-butyl-delta3-piperideine
CID 180571
Piperidine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446865
1-Methyl-1-(3-methyl-but-2-enyl)-piperidinium
CID 12005585
1-Geranylpiperidine
CID 12760939
4-ethyl-1-methyl-3,6-dihydro-2H-pyridine
CID 21345321
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
Pyridine, 1,2,3,6-tetrahydro-1,4-dimethyl-
CID 11389372
1,1-Dimethyl-3,5-dimethylenepiperidinium chloride
CID 3016839
1-(2,5-Dimethyl-1,4-hexadien-1-YL)piperidine
CID 24209787
1-[(E)-2-ethylhex-2-enyl]-1-methylpiperidin-1-ium
CID 6152674
Piperidine, 1-(2,7-octadienyl)-
CID 4248884
1-Ethyl-3-methylidenepiperidine
CID 10701832

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-ethylbut-2-enyl]piperidine?
The IUPAC name of 1-[(Z)-2-ethylbut-2-enyl]piperidine (CID 22628673) is 1-[(Z)-2-ethylbut-2-enyl]piperidine.
What is the SMILES notation for 1-[(Z)-2-ethylbut-2-enyl]piperidine?
The canonical SMILES for 1-[(Z)-2-ethylbut-2-enyl]piperidine is C/C=C(/CC)CN1CCCCC1.
What is the InChIKey of 1-[(Z)-2-ethylbut-2-enyl]piperidine?
The InChIKey is RMSUOTWALYZPNA-JYOAFUTRSA-N. The full InChI is InChI=1S/C11H21N/c1-3-11(4-2)10-12-8-6-5-7-9-12/h3H,4-10H2,1-2H3/b11-3-.
What are the key properties of 1-[(Z)-2-ethylbut-2-enyl]piperidine?
1-[(Z)-2-ethylbut-2-enyl]piperidine has a molecular weight of 167.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-ethylbut-2-enyl]piperidine is sourced from PubChem (CID 22628673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).