(3E)-3-ethylidenepiperidine

C7H13N — CID 55298742

IUPAC(3E)-3-ethylidenepiperidine
SMILESC/C=C1\CCCNC1
InChIInChI=1S/C7H13N/c1-2-7-4-3-5-8-6-7/h2,8H,3-6H2,1H3/b7-2+
InChIKeyKPDBFXIKMXHJEB-FARCUNLSSA-N
MW111.19 g/mol
LogP1.32
Rot. Bonds

About (3E)-3-ethylidenepiperidine

(3E)-3-ethylidenepiperidine (PubChem CID 55298742) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (3E)-3-ethylidenepiperidine.

Molecular Properties

Compound Name(3E)-3-ethylidenepiperidine
PubChem CID55298742
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(3E)-3-ethylidenepiperidine
SMILESC/C=C1\CCCNC1
InChIInChI=1S/C7H13N/c1-2-7-4-3-5-8-6-7/h2,8H,3-6H2,1H3/b7-2+
InChIKeyKPDBFXIKMXHJEB-FARCUNLSSA-N
XLogP1.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-1,2,3,6-tetrahydropyridine
CID 5231576
4-Methyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 13241116
2-((Z)-Prop-1-enyl)piperidine
CID 11051649
5-Methyl-1,2,3,6-tetrahydropyridine
CID 5250455
4-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
Pyridine, 1,2,5,6-tetrahydro-4-isopropyl-
CID 23423759
Pyridine, 1,2,5,6-tetrahydro-4,6-dimethyl-
CID 23423762
3-(Propan-2-ylidene)piperidine
CID 56972724
CID 53405868
CID 53405868
4-Prop-2-ynylidenepiperidine
CID 57575013
beta-Coniceine, (E)-
CID 11819089
N-[(3-fluorocyclohexa-1,3-dien-1-yl)methyl]ethanamine
CID 144504530

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidenepiperidine?
The IUPAC name of (3E)-3-ethylidenepiperidine (CID 55298742) is (3E)-3-ethylidenepiperidine.
What is the SMILES notation for (3E)-3-ethylidenepiperidine?
The canonical SMILES for (3E)-3-ethylidenepiperidine is C/C=C1\CCCNC1.
What is the InChIKey of (3E)-3-ethylidenepiperidine?
The InChIKey is KPDBFXIKMXHJEB-FARCUNLSSA-N. The full InChI is InChI=1S/C7H13N/c1-2-7-4-3-5-8-6-7/h2,8H,3-6H2,1H3/b7-2+.
What are the key properties of (3E)-3-ethylidenepiperidine?
(3E)-3-ethylidenepiperidine has a molecular weight of 111.19 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidenepiperidine is sourced from PubChem (CID 55298742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).