5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine

C24H31FN2O — CID 59830597

IUPAC5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine
SMILESC=C1C=CC(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)=CN1CCF
InChIInChI=1S/C24H31FN2O/c1-19-6-7-21(18-27(19)17-14-25)20-8-10-23(11-9-20)28-24-12-15-26(16-13-24)22-4-2-3-5-22/h6-11,18,22,24H,1-5,12-17H2
InChIKeyFJBHIPKMNHSSGE-UHFFFAOYSA-N
MW382.52 g/mol
LogP5.17
Rot. Bonds6

About 5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine

5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine (PubChem CID 59830597) has the molecular formula C24H31FN2O and a molecular weight of 382.52 g/mol. Its IUPAC name is 5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine.

Molecular Properties

Compound Name5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine
PubChem CID59830597
Molecular FormulaC24H31FN2O
Molecular Weight382.52 g/mol
Exact Mass382.24
IUPAC Name5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine
SMILESC=C1C=CC(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)=CN1CCF
InChIInChI=1S/C24H31FN2O/c1-19-6-7-21(18-27(19)17-14-25)20-8-10-23(11-9-20)28-24-12-15-26(16-13-24)22-4-2-3-5-22/h6-11,18,22,24H,1-5,12-17H2
InChIKeyFJBHIPKMNHSSGE-UHFFFAOYSA-N
XLogP5.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.52
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-propan-2-ylpyridin-2-one
CID 11710659
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
CID 66784665
3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one
CID 24993806
3-chloro-4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(1-fluoroethyl)pyridin-2-one
CID 59830596
3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine
CID 141200375
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-7H-pyrido[3,4-d]pyrimidine-4,8-dione
CID 67243853
3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine
CID 141120874
2-chloro-2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]acetamide
CID 142798153
1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane
CID 161101282

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine?
The IUPAC name of 5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine (CID 59830597) is 5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine.
What is the SMILES notation for 5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine?
The canonical SMILES for 5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine is C=C1C=CC(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)=CN1CCF.
What is the InChIKey of 5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine?
The InChIKey is FJBHIPKMNHSSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O/c1-19-6-7-21(18-27(19)17-14-25)20-8-10-23(11-9-20)28-24-12-15-26(16-13-24)22-4-2-3-5-22/h6-11,18,22,24H,1-5,12-17H2.
What are the key properties of 5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine?
5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine has a molecular weight of 382.52 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-(2-fluoroethyl)-2-methylidenepyridine is sourced from PubChem (CID 59830597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).