3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane

C15H28N2 — CID 166113215

IUPAC3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCCN1CCC(N2CC3C(C2)C3C(C)C)CC1
InChIInChI=1S/C15H28N2/c1-4-16-7-5-12(6-8-16)17-9-13-14(10-17)15(13)11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyCAAAEBJPOAVWNO-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.30
Rot. Bonds3

About 3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane

3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 166113215) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID166113215
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCCN1CCC(N2CC3C(C2)C3C(C)C)CC1
InChIInChI=1S/C15H28N2/c1-4-16-7-5-12(6-8-16)17-9-13-14(10-17)15(13)11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyCAAAEBJPOAVWNO-UHFFFAOYSA-N
XLogP2.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

1-ethyl-4-(3-methylazetidin-1-yl)piperidine
CID 174247988
3-(oxetan-3-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 146488526
ethane;1-[(1-ethylpyrrolidin-3-yl)methyl]-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177135021
1-(1-ethylpiperidin-4-yl)-2,7-dihydroazepine
CID 171083952
1-(1-ethylpiperidin-4-yl)piperidin-4-amine;hydrochloride
CID 68573290
4-tert-butyl-1-(1-ethylpiperidin-4-yl)piperidine
CID 164838588
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327
4-(4-butan-2-ylpiperidin-1-yl)-1-[(1-ethylpiperidin-4-yl)methyl]piperidine;ethane
CID 170613244
1-(1-ethylpiperidin-4-yl)pyrrolidine-3-sulfonamide
CID 137403169
ethane;1-ethyl-4-[(3-propan-2-ylpyrrolidin-1-yl)methyl]piperidine
CID 178154612
(4R)-1-ethyl-4-methyl-3-propan-2-ylpiperidine
CID 166105032
3-(3-methylbutyl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 168740489

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 166113215) is 3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane is CCN1CCC(N2CC3C(C2)C3C(C)C)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is CAAAEBJPOAVWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-16-7-5-12(6-8-16)17-9-13-14(10-17)15(13)11(2)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane?
3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 236.40 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-6-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 166113215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).