(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride

C12H15BrClFN2O — CID 119376292

IUPAC(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C12H14BrFN2O.ClH/c13-10-7-8(1-2-11(10)14)12(17)16-5-3-9(15)4-6-16;/h1-2,7,9H,3-6,15H2;1H
InChIKeyFBXNBJNFLQKBEO-UHFFFAOYSA-N
MW337.62 g/mol
LogP2.57
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride (PubChem CID 119376292) has the molecular formula C12H15BrClFN2O and a molecular weight of 337.62 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
PubChem CID119376292
Molecular FormulaC12H15BrClFN2O
Molecular Weight337.62 g/mol
Exact Mass336.00
IUPAC Name(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C12H14BrFN2O.ClH/c13-10-7-8(1-2-11(10)14)12(17)16-5-3-9(15)4-6-16;/h1-2,7,9H,3-6,15H2;1H
InChIKeyFBXNBJNFLQKBEO-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.62
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone;hydrochloride
CID 119934528
(3-bromo-4-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647709
(3-bromo-4-fluorophenyl)-(4-methoxypiperidin-1-yl)methanone
CID 103706547
[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 103706428
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
1-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 103706279
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 119412532
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
(3-bromo-4-fluorophenyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 103707510
4-(3-bromo-4-fluorobenzoyl)piperazine-1-sulfonamide
CID 103707230
(3-bromo-4-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103707270

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride (CID 119376292) is (4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride is Cl.NC1CCN(C(=O)c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride?
The InChIKey is FBXNBJNFLQKBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O.ClH/c13-10-7-8(1-2-11(10)14)12(17)16-5-3-9(15)4-6-16;/h1-2,7,9H,3-6,15H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride has a molecular weight of 337.62 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(3-bromo-4-fluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119376292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).