4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine

C26H28FNO3 — CID 53405948

IUPAC4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine
SMILESCOc1cc(OCC2CNCCC2c2ccc(F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C26H28FNO3/c1-29-26-15-23(11-12-25(26)31-17-19-5-3-2-4-6-19)30-18-21-16-28-14-13-24(21)20-7-9-22(27)10-8-20/h2-12,15,21,24,28H,13-14,16-18H2,1H3
InChIKeyJJJAIRUIVLJSHY-UHFFFAOYSA-N
MW421.51 g/mol
LogP5.19
Rot. Bonds8

About 4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine

4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine (PubChem CID 53405948) has the molecular formula C26H28FNO3 and a molecular weight of 421.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine
PubChem CID53405948
Molecular FormulaC26H28FNO3
Molecular Weight421.51 g/mol
Exact Mass421.21
IUPAC Name4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine
SMILESCOc1cc(OCC2CNCCC2c2ccc(F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C26H28FNO3/c1-29-26-15-23(11-12-25(26)31-17-19-5-3-2-4-6-19)30-18-21-16-28-14-13-24(21)20-7-9-22(27)10-8-20/h2-12,15,21,24,28H,13-14,16-18H2,1H3
InChIKeyJJJAIRUIVLJSHY-UHFFFAOYSA-N
XLogP5.19
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 19832107
(3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine
CID 139721977
3-methoxy-N-methyl-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzamide
CID 69155626
(3S,4R)-3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67842104
(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine
CID 131844495
(3S,4R)-3-(1,3-dihydro-2-benzofuran-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
CID 71652161
(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine
CID 54239492
acetic acid;(3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
CID 70340465
(E)-but-2-enedioic acid;3-methoxy-4-[[(3S,4R)-4-phenylpiperidin-3-yl]methoxy]benzonitrile
CID 158801324
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171194691
(3R,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydron;chloride
CID 50986975
bis((3R,4S)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine);hydrate;dihydrochloride
CID 117064967

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine?
The IUPAC name of 4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine (CID 53405948) is 4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine is COc1cc(OCC2CNCCC2c2ccc(F)cc2)ccc1OCc1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine?
The InChIKey is JJJAIRUIVLJSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO3/c1-29-26-15-23(11-12-25(26)31-17-19-5-3-2-4-6-19)30-18-21-16-28-14-13-24(21)20-7-9-22(27)10-8-20/h2-12,15,21,24,28H,13-14,16-18H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine?
4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine has a molecular weight of 421.51 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine is sourced from PubChem (CID 53405948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).