[4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone

C14H16Br2FNO2 — CID 114561107

IUPAC[4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
SMILESO=C(c1c(F)cccc1Br)N1CCC(OCCBr)CC1
InChIInChI=1S/C14H16Br2FNO2/c15-6-9-20-10-4-7-18(8-5-10)14(19)13-11(16)2-1-3-12(13)17/h1-3,10H,4-9H2
InChIKeySUYVLTAEVLJNBF-UHFFFAOYSA-N
MW409.09 g/mol
LogP3.60
Rot. Bonds4

About [4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone

[4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone (PubChem CID 114561107) has the molecular formula C14H16Br2FNO2 and a molecular weight of 409.09 g/mol. Its IUPAC name is [4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
PubChem CID114561107
Molecular FormulaC14H16Br2FNO2
Molecular Weight409.09 g/mol
Exact Mass406.95
IUPAC Name[4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
SMILESO=C(c1c(F)cccc1Br)N1CCC(OCCBr)CC1
InChIInChI=1S/C14H16Br2FNO2/c15-6-9-20-10-4-7-18(8-5-10)14(19)13-11(16)2-1-3-12(13)17/h1-3,10H,4-9H2
InChIKeySUYVLTAEVLJNBF-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.09
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 115772825
[4-(2-bromoethoxy)piperidin-1-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107016929
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid
CID 115909676
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 82701843
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 124569711
[4-(2-bromoethoxy)piperidin-1-yl]-(3-bromothiophen-2-yl)methanone
CID 82701558
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 121197502
[4-(2-bromoethoxy)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 82688043
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 82689439
(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103733511
[4-(2-chloroethoxy)piperidin-1-yl]-(2,3-difluorophenyl)methanone
CID 82701609
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 114561026

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone?
The IUPAC name of [4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone (CID 114561107) is [4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone.
What is the SMILES notation for [4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone?
The canonical SMILES for [4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone is O=C(c1c(F)cccc1Br)N1CCC(OCCBr)CC1.
What is the InChIKey of [4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone?
The InChIKey is SUYVLTAEVLJNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2FNO2/c15-6-9-20-10-4-7-18(8-5-10)14(19)13-11(16)2-1-3-12(13)17/h1-3,10H,4-9H2.
What are the key properties of [4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone?
[4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone has a molecular weight of 409.09 g/mol, XLogP of 3.60, 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]-(2-bromo-6-fluorophenyl)methanone is sourced from PubChem (CID 114561107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).