3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine

C20H23FN2O — CID 56891941

IUPAC3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine
SMILESFc1ccc(/C=C/CN2CCC(OCc3cccnc3)CC2)cc1
InChIInChI=1S/C20H23FN2O/c21-19-7-5-17(6-8-19)4-2-12-23-13-9-20(10-14-23)24-16-18-3-1-11-22-15-18/h1-8,11,15,20H,9-10,12-14,16H2/b4-2+
InChIKeyPSDYICDSLWHWNT-DUXPYHPUSA-N
MW326.42 g/mol
LogP3.92
Rot. Bonds6

About 3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine

3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine (PubChem CID 56891941) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine
PubChem CID56891941
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine
SMILESFc1ccc(/C=C/CN2CCC(OCc3cccnc3)CC2)cc1
InChIInChI=1S/C20H23FN2O/c21-19-7-5-17(6-8-19)4-2-12-23-13-9-20(10-14-23)24-16-18-3-1-11-22-15-18/h1-8,11,15,20H,9-10,12-14,16H2/b4-2+
InChIKeyPSDYICDSLWHWNT-DUXPYHPUSA-N
XLogP3.92
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.92
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
(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
3-[(Piperidin-3-yloxy)methyl]pyridine
CID 45786849
2-Methyl-1,2-di-pyridin-3-yl-1-methoxypropane
CID 44299128
2-[4-(2-Phenylethyl)piperazin-1-yl]-1-pyridin-3-ylethanol
CID 24784658
4-(3-Fluoro-phenyl)-1-pyridin-4-ylmethyl-piperidin-4-ol
CID 645747
3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-pyridine
CID 10548223
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10599695
1-(2-Benzhydryloxy-ethyl)-4-(3-pyridin-3-yl-propyl)-piperazine
CID 10669551
3-{3-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-yl]-propyl}-pyridine
CID 10740538

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine (CID 56891941) is 3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine is Fc1ccc(/C=C/CN2CCC(OCc3cccnc3)CC2)cc1.
What is the InChIKey of 3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is PSDYICDSLWHWNT-DUXPYHPUSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-19-7-5-17(6-8-19)4-2-12-23-13-9-20(10-14-23)24-16-18-3-1-11-22-15-18/h1-8,11,15,20H,9-10,12-14,16H2/b4-2+.
What are the key properties of 3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine?
3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine has a molecular weight of 326.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 56891941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).