2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane

C20H38FN3 — CID 176634054

IUPAC2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane
SMILESCC(C)(C)N1CCC(CN2CC(F)C3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C20H38FN3/c1-18(2,3)23-9-7-16(8-10-23)11-22-12-17(21)20(13-22)14-24(15-20)19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyDBXLTKNJWQEWFR-UHFFFAOYSA-N
MW339.54 g/mol
LogP3.25
Rot. Bonds2

About 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane

2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane (PubChem CID 176634054) has the molecular formula C20H38FN3 and a molecular weight of 339.54 g/mol. Its IUPAC name is 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane
PubChem CID176634054
Molecular FormulaC20H38FN3
Molecular Weight339.54 g/mol
Exact Mass339.30
IUPAC Name2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane
SMILESCC(C)(C)N1CCC(CN2CC(F)C3(C2)CN(C(C)(C)C)C3)CC1
InChIInChI=1S/C20H38FN3/c1-18(2,3)23-9-7-16(8-10-23)11-22-12-17(21)20(13-22)14-24(15-20)19(4,5)6/h16-17H,7-15H2,1-6H3
InChIKeyDBXLTKNJWQEWFR-UHFFFAOYSA-N
XLogP3.25
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.54
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane with MolForge

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Related Compounds

6-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-3-methyl-2,6-diazaspiro[3.3]heptane
CID 153486130
8-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane
CID 146549060
1-tert-butyl-5-[(1-tert-butylpiperidin-4-yl)methyl]-1,5-diazocane
CID 146549054
(2S,6R)-1-tert-butyl-4-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146549044
2-tert-butyl-7-[(4-tert-butylpiperazin-1-yl)methyl]-2-azaspiro[3.5]nonane
CID 176795458
2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170669704
1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]methyl]piperidine
CID 135165028
1-[1-[(1-tert-butylpiperidin-4-yl)methyl]piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727141
4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 176629920
(2S,6R)-4-tert-butyl-1-[(1-tert-butylpiperidin-4-yl)methyl]-2,6-dimethylpiperazine
CID 146548367
1-tert-butyl-4-(cyclohexylmethyl)piperazine
CID 157130217

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane (CID 176634054) is 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane is CC(C)(C)N1CCC(CN2CC(F)C3(C2)CN(C(C)(C)C)C3)CC1.
What is the InChIKey of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane?
The InChIKey is DBXLTKNJWQEWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38FN3/c1-18(2,3)23-9-7-16(8-10-23)11-22-12-17(21)20(13-22)14-24(15-20)19(4,5)6/h16-17H,7-15H2,1-6H3.
What are the key properties of 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane?
2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane has a molecular weight of 339.54 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[(1-tert-butylpiperidin-4-yl)methyl]-5-fluoro-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 176634054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).