7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane

C25H31FN2O2 — CID 167679399

IUPAC7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane
SMILESCN1CC2(CC(N3CCC(c4cc(F)ccc4OCc4ccccc4)CC3)CO2)C1
InChIInChI=1S/C25H31FN2O2/c1-27-17-25(18-27)14-22(16-30-25)28-11-9-20(10-12-28)23-13-21(26)7-8-24(23)29-15-19-5-3-2-4-6-19/h2-8,13,20,22H,9-12,14-18H2,1H3
InChIKeySLRRALSWVXAILW-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.06
Rot. Bonds5

About 7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane

7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane (PubChem CID 167679399) has the molecular formula C25H31FN2O2 and a molecular weight of 410.53 g/mol. Its IUPAC name is 7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane
PubChem CID167679399
Molecular FormulaC25H31FN2O2
Molecular Weight410.53 g/mol
Exact Mass410.24
IUPAC Name7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane
SMILESCN1CC2(CC(N3CCC(c4cc(F)ccc4OCc4ccccc4)CC3)CO2)C1
InChIInChI=1S/C25H31FN2O2/c1-27-17-25(18-27)14-22(16-30-25)28-11-9-20(10-12-28)23-13-21(26)7-8-24(23)29-15-19-5-3-2-4-6-19/h2-8,13,20,22H,9-12,14-18H2,1H3
InChIKeySLRRALSWVXAILW-UHFFFAOYSA-N
XLogP4.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane (CID 167679399) is 7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane is CN1CC2(CC(N3CCC(c4cc(F)ccc4OCc4ccccc4)CC3)CO2)C1.
What is the InChIKey of 7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane?
The InChIKey is SLRRALSWVXAILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN2O2/c1-27-17-25(18-27)14-22(16-30-25)28-11-9-20(10-12-28)23-13-21(26)7-8-24(23)29-15-19-5-3-2-4-6-19/h2-8,13,20,22H,9-12,14-18H2,1H3.
What are the key properties of 7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane?
7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane has a molecular weight of 410.53 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(5-fluoro-2-phenylmethoxyphenyl)piperidin-1-yl]-2-methyl-5-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 167679399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).