ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane

C22H43FN3+ — CID 171657305

IUPACethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane
SMILESCC.CCC1(CN2CCC(F)(CN3CC4(CC[NH+](C)CC4)C3)CC2)CC1
InChIInChI=1S/C20H36FN3.C2H6/c1-3-18(4-5-18)14-23-12-8-20(21,9-13-23)17-24-15-19(16-24)6-10-22(2)11-7-19;1-2/h3-17H2,1-2H3;1-2H3/p+1
InChIKeyIGDCAUICQIKQMW-UHFFFAOYSA-O
MW368.61 g/mol
LogP2.62
Rot. Bonds5

About ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane

ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane (PubChem CID 171657305) has the molecular formula C22H43FN3+ and a molecular weight of 368.61 g/mol. Its IUPAC name is ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane
PubChem CID171657305
Molecular FormulaC22H43FN3+
Molecular Weight368.61 g/mol
Exact Mass368.34
IUPAC Nameethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane
SMILESCC.CCC1(CN2CCC(F)(CN3CC4(CC[NH+](C)CC4)C3)CC2)CC1
InChIInChI=1S/C20H36FN3.C2H6/c1-3-18(4-5-18)14-23-12-8-20(21,9-13-23)17-24-15-19(16-24)6-10-22(2)11-7-19;1-2/h3-17H2,1-2H3;1-2H3/p+1
InChIKeyIGDCAUICQIKQMW-UHFFFAOYSA-O
XLogP2.62
TPSA10.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane with MolForge

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Related Compounds

2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171748434
7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 171656732
1-ethyl-4-[(1-fluorocyclopropyl)methyl]piperazine
CID 130668663
ethane;[1-[[4-methyl-4-[(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methyl]piperidin-1-yl]methyl]cyclopropyl]methanamine
CID 171658070
1-ethyl-4-fluoro-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 176561897
(3R)-1-[(1-ethylcyclopropyl)methyl]-3-fluoropyrrolidine
CID 176919410
9-fluoro-9-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane
CID 174276695
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-fluoro-7-[[1-(2-methylbutyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
CID 171658115
6-[[1-(ethoxymethyl)cyclopropyl]methyl]-2,2-difluoro-6-azaspiro[2.5]octane
CID 176664237
7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane
CID 171748275
1-[(1-fluorocyclopropyl)methyl]-4-methyl-1,4-diazepane
CID 131201174
6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane
CID 176562277

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane?
The IUPAC name of ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane (CID 171657305) is ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane.
What is the SMILES notation for ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane?
The canonical SMILES for ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane is CC.CCC1(CN2CCC(F)(CN3CC4(CC[NH+](C)CC4)C3)CC2)CC1.
What is the InChIKey of ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane?
The InChIKey is IGDCAUICQIKQMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H36FN3.C2H6/c1-3-18(4-5-18)14-23-12-8-20(21,9-13-23)17-24-15-19(16-24)6-10-22(2)11-7-19;1-2/h3-17H2,1-2H3;1-2H3/p+1.
What are the key properties of ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane?
ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane has a molecular weight of 368.61 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[1-[(1-ethylcyclopropyl)methyl]-4-fluoropiperidin-4-yl]methyl]-7-methyl-2-aza-7-azoniaspiro[3.5]nonane is sourced from PubChem (CID 171657305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).