N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide

C14H19BrFN3O — CID 102735929

IUPACN-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(F)c(Br)cc2N)CC1
InChIInChI=1S/C14H19BrFN3O/c1-9(20)18-8-10-2-4-19(5-3-10)14-7-12(16)11(15)6-13(14)17/h6-7,10H,2-5,8,17H2,1H3,(H,18,20)
InChIKeyBCNSIOHJUPRCGO-UHFFFAOYSA-N
MW344.23 g/mol
LogP2.52
Rot. Bonds3

About N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide

N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide (PubChem CID 102735929) has the molecular formula C14H19BrFN3O and a molecular weight of 344.23 g/mol. Its IUPAC name is N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide
PubChem CID102735929
Molecular FormulaC14H19BrFN3O
Molecular Weight344.23 g/mol
Exact Mass343.07
IUPAC NameN-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2cc(F)c(Br)cc2N)CC1
InChIInChI=1S/C14H19BrFN3O/c1-9(20)18-8-10-2-4-19(5-3-10)14-7-12(16)11(15)6-13(14)17/h6-7,10H,2-5,8,17H2,1H3,(H,18,20)
InChIKeyBCNSIOHJUPRCGO-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide
CID 102735902
5-bromo-4-fluoro-2-(4-methylpiperidin-1-yl)aniline
CID 66112236
2-[4-(acetamidomethyl)piperidin-1-yl]-4-bromobenzoic acid
CID 102736530
N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 107532516
5-bromo-4-fluoro-2-(4-propylazepan-1-yl)aniline
CID 66111343
N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide
CID 102736286
1-[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]ethanol
CID 106835340
N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide
CID 107933077
N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide
CID 102736730
N-[[1-[2-(1-aminoethyl)-3-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736475
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
1-(2-amino-5-bromo-4-fluorophenyl)piperidin-4-ol
CID 116735284

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide (CID 102735929) is N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2cc(F)c(Br)cc2N)CC1.
What is the InChIKey of N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is BCNSIOHJUPRCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3O/c1-9(20)18-8-10-2-4-19(5-3-10)14-7-12(16)11(15)6-13(14)17/h6-7,10H,2-5,8,17H2,1H3,(H,18,20).
What are the key properties of N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 344.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102735929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).