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

C17H25FN2O — CID 97485886

IUPAC(5R,9R)-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-/m1/s1
InChIKeyYKSHZSBFCPEVME-NVXWUHKLSA-N
MW292.40 g/mol
LogP2.23
Rot. Bonds4

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

(5R,9R)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane (PubChem CID 97485886) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is (5R,9R)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5R,9R)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane
PubChem CID97485886
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name(5R,9R)-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-/m1/s1
InChIKeyYKSHZSBFCPEVME-NVXWUHKLSA-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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Frequently Asked Questions

What is the IUPAC name of (5R,9R)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5R,9R)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane (CID 97485886) is (5R,9R)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5R,9R)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5R,9R)-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 (5R,9R)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
The InChIKey is YKSHZSBFCPEVME-NVXWUHKLSA-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-/m1/s1.
What are the key properties of (5R,9R)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane?
(5R,9R)-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 (5R,9R)-2-[(4-fluorophenyl)methyl]-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 97485886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).