2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine

C23H30FNO2 — CID 90895663

IUPAC2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine
SMILESCCCOC(COc1ccccc1)CN1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C23H30FNO2/c1-2-16-26-22(18-27-21-8-4-3-5-9-21)17-25-15-7-6-10-23(25)19-11-13-20(24)14-12-19/h3-5,8-9,11-14,22-23H,2,6-7,10,15-18H2,1H3
InChIKeyBTSBJWHROQEXQY-UHFFFAOYSA-N
MW371.50 g/mol
LogP5.23
Rot. Bonds9

About 2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine

2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine (PubChem CID 90895663) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine
PubChem CID90895663
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine
SMILESCCCOC(COc1ccccc1)CN1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C23H30FNO2/c1-2-16-26-22(18-27-21-8-4-3-5-9-21)17-25-15-7-6-10-23(25)19-11-13-20(24)14-12-19/h3-5,8-9,11-14,22-23H,2,6-7,10,15-18H2,1H3
InChIKeyBTSBJWHROQEXQY-UHFFFAOYSA-N
XLogP5.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.50
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
CID 90816221
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-2-ol
CID 92817655
(2S)-2-(4-fluorophenyl)-1-(3-methoxypropyl)piperidine
CID 95727213
1-ethyl-4-[2-[4-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 131949920
(2S)-1-(2,6-dimethylphenoxy)-3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]propan-2-ol
CID 124725003
4-[4-[(2R)-3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]butan-2-one
CID 124839148
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
1-ethyl-2-phenylazepane
CID 59678181
(2S)-1-(4-fluorophenoxy)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95569820
1-butyl-2-phenylpiperidine
CID 10036306

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine?
The IUPAC name of 2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine (CID 90895663) is 2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine?
The canonical SMILES for 2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine is CCCOC(COc1ccccc1)CN1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine?
The InChIKey is BTSBJWHROQEXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO2/c1-2-16-26-22(18-27-21-8-4-3-5-9-21)17-25-15-7-6-10-23(25)19-11-13-20(24)14-12-19/h3-5,8-9,11-14,22-23H,2,6-7,10,15-18H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine?
2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine has a molecular weight of 371.50 g/mol, XLogP of 5.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(3-phenoxy-2-propoxypropyl)piperidine is sourced from PubChem (CID 90895663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).