3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine

C24H31FN2O2 — CID 141120874

IUPAC3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine
SMILESCc1ncccc1-c1ccc(OC2CCN(C3CCCC3)CC2)cc1OCCF
InChIInChI=1S/C24H31FN2O2/c1-18-22(7-4-13-26-18)23-9-8-21(17-24(23)28-16-12-25)29-20-10-14-27(15-11-20)19-5-2-3-6-19/h4,7-9,13,17,19-20H,2-3,5-6,10-12,14-16H2,1H3
InChIKeyGBNXSMUMRFTNIF-UHFFFAOYSA-N
MW398.52 g/mol
LogP5.19
Rot. Bonds7

About 3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine

3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine (PubChem CID 141120874) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is 3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine.

Molecular Properties

Compound Name3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine
PubChem CID141120874
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC Name3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine
SMILESCc1ncccc1-c1ccc(OC2CCN(C3CCCC3)CC2)cc1OCCF
InChIInChI=1S/C24H31FN2O2/c1-18-22(7-4-13-26-18)23-9-8-21(17-24(23)28-16-12-25)29-20-10-14-27(15-11-20)19-5-2-3-6-19/h4,7-9,13,17,19-20H,2-3,5-6,10-12,14-16H2,1H3
InChIKeyGBNXSMUMRFTNIF-UHFFFAOYSA-N
XLogP5.19
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.52
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971
5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one
CID 24996645
formic acid;2-methyl-3-[4-[(2-methylpropan-2-yl)oxy]-2-(oxan-4-yloxy)phenyl]pyridine
CID 158169921
7-bromo-2-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-methoxyphenyl]-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 11677714
3-[4-(1-cyclobutylpiperidin-4-yl)oxy-2-fluorophenyl]-2-methylquinazolin-4-one
CID 23151162
2-[2-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]pyridine
CID 174733971
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-7-fluoro-2-methylquinazolin-4-one
CID 23151327
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide
CID 68710362
5-(1-cyclopentylazepan-4-yl)oxy-1H-indazole
CID 18447181
4-(1-cyclobutylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42395577
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-methylquinazolin-4-one
CID 172752765
N-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-methylphenyl]-2-(2-methylpyrrolidin-1-yl)acetamide
CID 72679466

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine?
The IUPAC name of 3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine (CID 141120874) is 3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine.
What is the SMILES notation for 3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine?
The canonical SMILES for 3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine is Cc1ncccc1-c1ccc(OC2CCN(C3CCCC3)CC2)cc1OCCF.
What is the InChIKey of 3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine?
The InChIKey is GBNXSMUMRFTNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-18-22(7-4-13-26-18)23-9-8-21(17-24(23)28-16-12-25)29-20-10-14-27(15-11-20)19-5-2-3-6-19/h4,7-9,13,17,19-20H,2-3,5-6,10-12,14-16H2,1H3.
What are the key properties of 3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine?
3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine has a molecular weight of 398.52 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclopentylpiperidin-4-yl)oxy-2-(2-fluoroethoxy)phenyl]-2-methylpyridine is sourced from PubChem (CID 141120874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).