2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane

C17H24FN — CID 91111605

IUPAC2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
SMILESFc1ccc(CN2CCCC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H24FN/c18-16-7-5-15(6-8-16)13-19-12-4-11-17(14-19)9-2-1-3-10-17/h5-8H,1-4,9-14H2
InChIKeyWULRPAHLHVOCNK-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.37
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane

2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane (PubChem CID 91111605) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
PubChem CID91111605
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
SMILESFc1ccc(CN2CCCC3(CCCCC3)C2)cc1
InChIInChI=1S/C17H24FN/c18-16-7-5-15(6-8-16)13-19-12-4-11-17(14-19)9-2-1-3-10-17/h5-8H,1-4,9-14H2
InChIKeyWULRPAHLHVOCNK-UHFFFAOYSA-N
XLogP4.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(azepan-1-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 45182786
(5R)-9-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylsulfonyl-2,9-diazaspiro[4.5]decane
CID 95717588
[5-[[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]furan-2-yl]methanol
CID 45189906
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
8-benzyl-3,8-diazaspiro[5.6]dodecane
CID 82665591
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129483740
8-[(4-fluorophenyl)methyl]-1-methylsulfonyl-1,8-diazaspiro[5.5]undecane
CID 131660791
(5S)-2-[(4-fluorophenyl)methyl]-2,6-diazaspiro[4.5]decane
CID 97305383
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 45171495
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane (CID 91111605) is 2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane is Fc1ccc(CN2CCCC3(CCCCC3)C2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane?
The InChIKey is WULRPAHLHVOCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c18-16-7-5-15(6-8-16)13-19-12-4-11-17(14-19)9-2-1-3-10-17/h5-8H,1-4,9-14H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane?
2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane has a molecular weight of 261.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane is sourced from PubChem (CID 91111605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).