[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone

C25H25BrFNO2 — CID 15290380

IUPAC[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCOc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C25H25BrFNO2/c26-24-22-5-2-1-4-18(22)8-11-23(24)30-17-3-14-28-15-12-20(13-16-28)25(29)19-6-9-21(27)10-7-19/h1-2,4-11,20H,3,12-17H2
InChIKeyFPMOJEQDEXIPKV-UHFFFAOYSA-N
MW470.38 g/mol
LogP6.11
Rot. Bonds7

About [1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone

[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 15290380) has the molecular formula C25H25BrFNO2 and a molecular weight of 470.38 g/mol. Its IUPAC name is [1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID15290380
Molecular FormulaC25H25BrFNO2
Molecular Weight470.38 g/mol
Exact Mass469.11
IUPAC Name[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCOc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C25H25BrFNO2/c26-24-22-5-2-1-4-18(22)8-11-23(24)30-17-3-14-28-15-12-20(13-16-28)25(29)19-6-9-21(27)10-7-19/h1-2,4-11,20H,3,12-17H2
InChIKeyFPMOJEQDEXIPKV-UHFFFAOYSA-N
XLogP6.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.38
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
(4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone
CID 67699856
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
[1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67697649
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]phthalazin-1-one;hydrochloride
CID 22150162
[1-[3-(benzimidazol-1-yl)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 54135393
(4-fluorophenyl)-[1-[2-(2-methoxyanilino)ethyl]piperidin-4-yl]methanone
CID 19690037
5-[4-(4-fluorobenzoyl)piperidin-1-yl]-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile;hydrochloride
CID 19747829
3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1,3-benzothiazol-2-one
CID 21424822
[1-[3-[3-(dibutylamino)phenoxy]propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 67697538
2-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-2-naphthalen-1-yltetradecanenitrile
CID 19747743

Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone (CID 15290380) is [1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(CCCOc2ccc3ccccc3c2Br)CC1.
What is the InChIKey of [1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is FPMOJEQDEXIPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrFNO2/c26-24-22-5-2-1-4-18(22)8-11-23(24)30-17-3-14-28-15-12-20(13-16-28)25(29)19-6-9-21(27)10-7-19/h1-2,4-11,20H,3,12-17H2.
What are the key properties of [1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 470.38 g/mol, XLogP of 6.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-bromonaphthalen-2-yl)oxypropyl]piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 15290380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).