(1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene

C14H24N2 — CID 143020729

IUPAC(1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene
SMILESCCN1[C@@H]2C=C[C@H]1CC(N1CCCCC1)C2
InChIInChI=1S/C14H24N2/c1-2-16-12-6-7-13(16)11-14(10-12)15-8-4-3-5-9-15/h6-7,12-14H,2-5,8-11H2,1H3/t12-,13+,14?
InChIKeyXQGYTNFZPZLKFQ-PBWFPOADSA-N
MW220.36 g/mol
LogP2.26
Rot. Bonds2

About (1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene

(1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene (PubChem CID 143020729) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name(1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene
PubChem CID143020729
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene
SMILESCCN1[C@@H]2C=C[C@H]1CC(N1CCCCC1)C2
InChIInChI=1S/C14H24N2/c1-2-16-12-6-7-13(16)11-14(10-12)15-8-4-3-5-9-15/h6-7,12-14H,2-5,8-11H2,1H3/t12-,13+,14?
InChIKeyXQGYTNFZPZLKFQ-PBWFPOADSA-N
XLogP2.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene with MolForge

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Related Compounds

Trop-6-ene
CID 11029830
8-Methyl-8-azabicyclo[3.2.1]oct-6-ene
CID 15440299
1'-(Cyclopenta-2,4-dien-1-yl)-1,4'-bipiperidine
CID 172907234
Cycloheptene;1-ethyl-2-methylpiperidine
CID 21511026
1-(4-Piperidin-1-ylcyclopent-2-en-1-yl)piperidine
CID 23523248
CID 59065338
CID 59065338
4-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
CID 89197862
(4S)-4-methyl-2,3,4,6,7,9a-hexahydro-1H-quinolizine
CID 118687067
8-Propan-2-yl-8-azabicyclo[3.2.1]oct-6-ene
CID 122592781
ethane;1-(1-methylpiperidin-4-yl)-3,6-dihydro-2H-pyridine
CID 141949859
1-Methyl-2-(1-methyl-2,5-dihydropyrrol-2-yl)piperidine
CID 143713815
1-Cyclohept-4-en-1-ylpiperidine;ethane
CID 143862937

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene?
The IUPAC name of (1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene (CID 143020729) is (1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for (1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for (1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene is CCN1[C@@H]2C=C[C@H]1CC(N1CCCCC1)C2.
What is the InChIKey of (1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene?
The InChIKey is XQGYTNFZPZLKFQ-PBWFPOADSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-16-12-6-7-13(16)11-14(10-12)15-8-4-3-5-9-15/h6-7,12-14H,2-5,8-11H2,1H3/t12-,13+,14?.
What are the key properties of (1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene?
(1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene has a molecular weight of 220.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-ethyl-3-piperidin-1-yl-8-azabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 143020729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).