8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

C20H23FN2O — CID 118745901

IUPAC8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(CN2CCC3(CC2)CC(c2cccnc2)CO3)cc1
InChIInChI=1S/C20H23FN2O/c21-19-5-3-16(4-6-19)14-23-10-7-20(8-11-23)12-18(15-24-20)17-2-1-9-22-13-17/h1-6,9,13,18H,7-8,10-12,14-15H2
InChIKeyQQQLWNIRENULMJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.76
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane

8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 118745901) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
PubChem CID118745901
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane
SMILESFc1ccc(CN2CCC3(CC2)CC(c2cccnc2)CO3)cc1
InChIInChI=1S/C20H23FN2O/c21-19-5-3-16(4-6-19)14-23-10-7-20(8-11-23)12-18(15-24-20)17-2-1-9-22-13-17/h1-6,9,13,18H,7-8,10-12,14-15H2
InChIKeyQQQLWNIRENULMJ-UHFFFAOYSA-N
XLogP3.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(NZ)-N-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]hydroxylamine
CID 24762415
(Z)-1-(3,4-difluorophenyl)-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]-N-methoxymethanimine
CID 45487668
(Z)-1-(3,4-difluorophenyl)-N-ethoxy-1-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methanimine
CID 45487671
2-Phenyl-1,1-di(pyridin-3-yl)ethanol
CID 46885546
(NE)-N-[(3,4-difluorophenyl)-[4-[(6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]-1'-yl)methyl]phenyl]methylidene]hydroxylamine
CID 44555375
Tert-butyl 4-[[4-(3-fluoro-4-pyridinyl)cyclohexyl]oxymethyl]piperidine-1-carboxylate
CID 66554933
1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-2-yl-propyl)-piperidin-4-ol
CID 496983
1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-3-yl-propyl)-piperidin-4-ol
CID 496984
1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-(3-pyridin-4-yl-propyl)-piperidin-4-ol
CID 496985
4-(3-Fluoro-phenyl)-1-pyridin-4-ylmethyl-piperidin-4-ol
CID 645747
3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-pyridine
CID 10548223
3-{3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-propyl}-pyridine
CID 10740538

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane (CID 118745901) is 8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is Fc1ccc(CN2CCC3(CC2)CC(c2cccnc2)CO3)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is QQQLWNIRENULMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-19-5-3-16(4-6-19)14-23-10-7-20(8-11-23)12-18(15-24-20)17-2-1-9-22-13-17/h1-6,9,13,18H,7-8,10-12,14-15H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane?
8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 326.42 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-3-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 118745901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).