1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine

C13H19N — CID 124659802

IUPAC1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine
SMILESC1=C[C@H]2C[C@H]1C/C2=C\N1CCCCC1
InChIInChI=1S/C13H19N/c1-2-6-14(7-3-1)10-13-9-11-4-5-12(13)8-11/h4-5,10-12H,1-3,6-9H2/b13-10+/t11-,12-/m0/s1
InChIKeyLUUAIDJWSKPHAJ-NYKRYYGFSA-N
MW189.30 g/mol
LogP2.95
Rot. Bonds1

About 1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine

1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine (PubChem CID 124659802) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine.

Molecular Properties

Compound Name1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine
PubChem CID124659802
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine
SMILESC1=C[C@H]2C[C@H]1C/C2=C\N1CCCCC1
InChIInChI=1S/C13H19N/c1-2-6-14(7-3-1)10-13-9-11-4-5-12(13)8-11/h4-5,10-12H,1-3,6-9H2/b13-10+/t11-,12-/m0/s1
InChIKeyLUUAIDJWSKPHAJ-NYKRYYGFSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.95
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-[(Z)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine
CID 124659798
5-(bromomethylidene)bicyclo[2.2.1]hept-2-ene
CID 165356255
(4S)-bicyclo[2.2.1]hept-5-en-2-one
CID 139246523
bicyclo[2.2.1]hept-5-en-2-one;ethene
CID 67271465
1-(cyclooctylidenemethyl)pyrrolidine
CID 12584847
3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione
CID 3428337
(4E)-hexa-1,4-diene;5-methylidenebicyclo[2.2.1]hept-2-ene
CID 19911734
(1S,5R,7E)-7-benzylidenebicyclo[3.2.1]oct-3-en-2-one
CID 132991145
5-(piperidin-1-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 21234974
1-[(Z)-cyclohex-3-en-1-ylidenemethyl]pyrrolidine
CID 5373885
5-phenyl-3-(piperidin-1-ylmethylidene)thiophene-2-thione
CID 15997442
benzene;1-ethenylazonane
CID 175300196

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine?
The IUPAC name of 1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine (CID 124659802) is 1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine.
What is the SMILES notation for 1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine?
The canonical SMILES for 1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine is C1=C[C@H]2C[C@H]1C/C2=C\N1CCCCC1.
What is the InChIKey of 1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine?
The InChIKey is LUUAIDJWSKPHAJ-NYKRYYGFSA-N. The full InChI is InChI=1S/C13H19N/c1-2-6-14(7-3-1)10-13-9-11-4-5-12(13)8-11/h4-5,10-12H,1-3,6-9H2/b13-10+/t11-,12-/m0/s1.
What are the key properties of 1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine?
1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine has a molecular weight of 189.30 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(1R,4S)-2-bicyclo[2.2.1]hept-5-enylidene]methyl]piperidine is sourced from PubChem (CID 124659802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).