1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine

C20H31FN2O — CID 794205

IUPAC1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine
SMILESFc1ccc(COC(CN2CCCCC2)CN2CCCCC2)cc1
InChIInChI=1S/C20H31FN2O/c21-19-9-7-18(8-10-19)17-24-20(15-22-11-3-1-4-12-22)16-23-13-5-2-6-14-23/h7-10,20H,1-6,11-17H2
InChIKeyGASSHFRTJIGWGH-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.68
Rot. Bonds7

About 1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine

1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine (PubChem CID 794205) has the molecular formula C20H31FN2O and a molecular weight of 334.48 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine
PubChem CID794205
Molecular FormulaC20H31FN2O
Molecular Weight334.48 g/mol
Exact Mass334.24
IUPAC Name1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine
SMILESFc1ccc(COC(CN2CCCCC2)CN2CCCCC2)cc1
InChIInChI=1S/C20H31FN2O/c21-19-9-7-18(8-10-19)17-24-20(15-22-11-3-1-4-12-22)16-23-13-5-2-6-14-23/h7-10,20H,1-6,11-17H2
InChIKeyGASSHFRTJIGWGH-UHFFFAOYSA-N
XLogP3.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Diphenylpyraline
CID 3103
Phendimetrazine
CID 30487
Vanoxerine
CID 3455
1-(2-(Diphenylmethoxy)ethyl)-4-(3-phenylpropyl)piperazine
CID 3456
Bontril
CID 12460
Vanoxerine dihydrochloride
CID 104920
1,4-Bis[2-(benzyloxy)ethyl]piperazine
CID 2973061
Perastine
CID 411828
1-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-4-(2-phenylethyl)piperazine
CID 12634880
1-[(2S)-2-benzylpropyl]-4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazine
CID 24825318
1-[(2R)-2-benzylpropyl]-4-{2-[bis(4-fluorophenyl)methoxy]ethyl}piperazine
CID 24825319
1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2S)-2-methoxy-3-phenylpropyl]piperazine
CID 24825322

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine?
The IUPAC name of 1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine (CID 794205) is 1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine is Fc1ccc(COC(CN2CCCCC2)CN2CCCCC2)cc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine?
The InChIKey is GASSHFRTJIGWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O/c21-19-9-7-18(8-10-19)17-24-20(15-22-11-3-1-4-12-22)16-23-13-5-2-6-14-23/h7-10,20H,1-6,11-17H2.
What are the key properties of 1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine?
1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine has a molecular weight of 334.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methoxy]-3-piperidin-1-ylpropyl]piperidine is sourced from PubChem (CID 794205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).