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

C14H17BrFNO2 — CID 63979402

IUPAC(2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C14H17BrFNO2/c1-19-9-10-4-6-17(7-5-10)14(18)12-3-2-11(16)8-13(12)15/h2-3,8,10H,4-7,9H2,1H3
InChIKeyMCRFNOMDGAAORE-UHFFFAOYSA-N
MW330.20 g/mol
LogP3.09
Rot. Bonds3

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

(2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 63979402) has the molecular formula C14H17BrFNO2 and a molecular weight of 330.20 g/mol. Its IUPAC name is (2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID63979402
Molecular FormulaC14H17BrFNO2
Molecular Weight330.20 g/mol
Exact Mass329.04
IUPAC Name(2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCN(C(=O)c2ccc(F)cc2Br)CC1
InChIInChI=1S/C14H17BrFNO2/c1-19-9-10-4-6-17(7-5-10)14(18)12-3-2-11(16)8-13(12)15/h2-3,8,10H,4-7,9H2,1H3
InChIKeyMCRFNOMDGAAORE-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.20
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 43430549
(2-bromo-4-fluorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81486307
ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
(2-bromo-5-sulfanylphenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 107030318
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
(2-bromo-4-fluorophenyl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115871773
(2-bromo-5-fluorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248375
(2-bromo-4-fluorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413824
2-[1-(2-bromo-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 154836645
4-fluoro-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 107907966
(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765515
(2-bromo-4-fluorophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79404118

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone (CID 63979402) is (2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCN(C(=O)c2ccc(F)cc2Br)CC1.
What is the InChIKey of (2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is MCRFNOMDGAAORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO2/c1-19-9-10-4-6-17(7-5-10)14(18)12-3-2-11(16)8-13(12)15/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of (2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone?
(2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 330.20 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63979402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).