[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone

C14H18BrFN2O — CID 55216485

IUPAC[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
SMILESCC(N)C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H18BrFN2O/c1-9(17)10-2-4-18(5-3-10)14(19)11-6-12(15)8-13(16)7-11/h6-10H,2-5,17H2,1H3
InChIKeyWLHCTIIPEBYWLD-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.79
Rot. Bonds2

About [4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone

[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone (PubChem CID 55216485) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is [4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
PubChem CID55216485
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
SMILESCC(N)C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H18BrFN2O/c1-9(17)10-2-4-18(5-3-10)14(19)11-6-12(15)8-13(16)7-11/h6-10H,2-5,17H2,1H3
InChIKeyWLHCTIIPEBYWLD-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(4-bromo-2,6-difluorophenyl)methanone;hydrochloride
CID 119517716
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3,5-dibromophenyl)methanone
CID 114022814
(3-bromo-5-fluorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 63390803
(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 62067197
(3-aminoazetidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 65244996
[4-(1-aminoethyl)piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone;hydrochloride
CID 119519504
4-(3-bromo-5-fluorobenzoyl)piperazine-1-sulfonamide
CID 61131092
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869208
4-[4-(1-aminoethyl)piperidine-1-carbonyl]benzamide
CID 119520138
[4-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone;hydrochloride
CID 119520804
[3-(1-aminoethyl)pyrrolidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 113356586

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone?
The IUPAC name of [4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone (CID 55216485) is [4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone.
What is the SMILES notation for [4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone?
The canonical SMILES for [4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone is CC(N)C1CCN(C(=O)c2cc(F)cc(Br)c2)CC1.
What is the InChIKey of [4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone?
The InChIKey is WLHCTIIPEBYWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-9(17)10-2-4-18(5-3-10)14(19)11-6-12(15)8-13(16)7-11/h6-10H,2-5,17H2,1H3.
What are the key properties of [4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone?
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone has a molecular weight of 329.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone is sourced from PubChem (CID 55216485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).