[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone

C14H17BrFNO2 — CID 82701843

IUPAC[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(OCCBr)CC1
InChIInChI=1S/C14H17BrFNO2/c15-7-10-19-13-5-8-17(9-6-13)14(18)11-1-3-12(16)4-2-11/h1-4,13H,5-10H2
InChIKeyAPQJIQQYTBIPNF-UHFFFAOYSA-N
MW330.20 g/mol
LogP2.84
Rot. Bonds4

About [4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone

[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 82701843) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is [4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID82701843
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(OCCBr)CC1
InChIInChI=1S/C14H17BrFNO2/c15-7-10-19-13-5-8-17(9-6-13)14(18)11-1-3-12(16)4-2-11/h1-4,13H,5-10H2
InChIKeyAPQJIQQYTBIPNF-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 82689439
[4-(2-bromoethoxy)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 82688043
[4-(2-bromoethoxy)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672782
[4-(2-bromoethoxy)piperidin-1-yl]-(3-hydroxy-4-methylphenyl)methanone
CID 82701331
[4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 114561107
[4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016929
(4-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916416
(4-fluorophenyl)-[4-[(2-methoxyphenyl)methoxy]piperidin-1-yl]methanone
CID 84594202
[4-(2-aminoethoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 82700954
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
[4-(2-bromoethoxy)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone
CID 82701558
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 82701843) is [4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC(OCCBr)CC1.
What is the InChIKey of [4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is APQJIQQYTBIPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c15-7-10-19-13-5-8-17(9-6-13)14(18)11-1-3-12(16)4-2-11/h1-4,13H,5-10H2.
What are the key properties of [4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 330.20 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 82701843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).