6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane

C17H31FN2 — CID 176562277

IUPAC6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane
SMILESCC(C)N1CCC(F)(CN2CCCC3(CC2)CC3)CC1
InChIInChI=1S/C17H31FN2/c1-15(2)20-12-8-17(18,9-13-20)14-19-10-3-4-16(5-6-16)7-11-19/h15H,3-14H2,1-2H3
InChIKeyLPZJEYOBTBBJRJ-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.46
Rot. Bonds3

About 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane

6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane (PubChem CID 176562277) has the molecular formula C17H31FN2 and a molecular weight of 282.45 g/mol. Its IUPAC name is 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane.

Molecular Properties

Compound Name6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane
PubChem CID176562277
Molecular FormulaC17H31FN2
Molecular Weight282.45 g/mol
Exact Mass282.25
IUPAC Name6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane
SMILESCC(C)N1CCC(F)(CN2CCCC3(CC2)CC3)CC1
InChIInChI=1S/C17H31FN2/c1-15(2)20-12-8-17(18,9-13-20)14-19-10-3-4-16(5-6-16)7-11-19/h15H,3-14H2,1-2H3
InChIKeyLPZJEYOBTBBJRJ-UHFFFAOYSA-N
XLogP3.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane
CID 176563302
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
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
1-[4-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]ethanone
CID 166113547
2,9-di(propan-2-yl)-2,9-diazaspiro[5.5]undecane;ethane
CID 172605205
ethane;2-methyl-9-propan-2-yl-2,9-diazaspiro[5.5]undecane
CID 154672647
9-fluoro-9-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane
CID 174276695
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
N,N-dimethyl-2-(3-propan-2-yl-3,9-diazaspiro[5.5]undecan-9-yl)ethanamine
CID 176824106

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane?
The IUPAC name of 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane (CID 176562277) is 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane.
What is the SMILES notation for 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane?
The canonical SMILES for 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane is CC(C)N1CCC(F)(CN2CCCC3(CC2)CC3)CC1.
What is the InChIKey of 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane?
The InChIKey is LPZJEYOBTBBJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FN2/c1-15(2)20-12-8-17(18,9-13-20)14-19-10-3-4-16(5-6-16)7-11-19/h15H,3-14H2,1-2H3.
What are the key properties of 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane?
6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane has a molecular weight of 282.45 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane is sourced from PubChem (CID 176562277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).