(5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane

C17H25FN2O — CID 124814974

IUPAC(5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCOC[C@@H]1CN(C)C[C@]12CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C17H25FN2O/c1-19-10-15(11-21-2)17(12-19)7-8-20(13-17)9-14-3-5-16(18)6-4-14/h3-6,15H,7-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyYKSHZSBFCPEVME-RDJZCZTQSA-N
MW292.40 g/mol
LogP2.23
Rot. Bonds4

About (5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane

(5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane (PubChem CID 124814974) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane
PubChem CID124814974
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane
SMILESCOC[C@@H]1CN(C)C[C@]12CCN(Cc1ccc(F)cc1)C2
InChIInChI=1S/C17H25FN2O/c1-19-10-15(11-21-2)17(12-19)7-8-20(13-17)9-14-3-5-16(18)6-4-14/h3-6,15H,7-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyYKSHZSBFCPEVME-RDJZCZTQSA-N
XLogP2.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-Fluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91910487
[2-(3,4-Difluorobenzyl)-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91910488
1-[4-(Methoxymethyl)-8-[(2,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-YL]ethan-1-one
CID 91910551
[8-[(3,4-Difluorophenyl)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921808
[8-(2,5-Difluorobenzyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91921812
[8-(2,4-Difluorobenzyl)-2-methyl-2,8-diazaspiro[4.5]dec-4-yl]methyl methyl ether
CID 91922080
1-{8-[(3,4-Difluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-2-YL}ethan-1-one
CID 91922132
1-[8-(4-Fluorobenzyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone
CID 91922137
(3aS,6aR)-5-[(3,4-difluorophenyl)methyl]-3a-(ethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97420897
{2-Benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl}methanamine
CID 119056843
(5S)-7-[(2,6-difluorophenyl)methyl]-2-oxa-7-azaspiro[4.4]nonane
CID 164633921
(3S,4S)-1-benzyl-3-(ethylperoxymethyl)-4-(fluoromethyl)-3-methylpyrrolidine
CID 88590233

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane (CID 124814974) is (5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane is COC[C@@H]1CN(C)C[C@]12CCN(Cc1ccc(F)cc1)C2.
What is the InChIKey of (5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is YKSHZSBFCPEVME-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-19-10-15(11-21-2)17(12-19)7-8-20(13-17)9-14-3-5-16(18)6-4-14/h3-6,15H,7-13H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of (5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
(5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane has a molecular weight of 292.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 124814974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).