N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide

C15H21BrFN3O — CID 107532516

IUPACN-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(CN)c(Br)c2F)CC1
InChIInChI=1S/C15H21BrFN3O/c1-10(21)19-9-11-4-6-20(7-5-11)13-3-2-12(8-18)14(16)15(13)17/h2-3,11H,4-9,18H2,1H3,(H,19,21)
InChIKeyHSUWHLBKBBWWNO-UHFFFAOYSA-N
MW358.26 g/mol
LogP2.40
Rot. Bonds4

About N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide

N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide (PubChem CID 107532516) has the molecular formula C15H21BrFN3O and a molecular weight of 358.26 g/mol. Its IUPAC name is N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide
PubChem CID107532516
Molecular FormulaC15H21BrFN3O
Molecular Weight358.26 g/mol
Exact Mass357.09
IUPAC NameN-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(c2ccc(CN)c(Br)c2F)CC1
InChIInChI=1S/C15H21BrFN3O/c1-10(21)19-9-11-4-6-20(7-5-11)13-3-2-12(8-18)14(16)15(13)17/h2-3,11H,4-9,18H2,1H3,(H,19,21)
InChIKeyHSUWHLBKBBWWNO-UHFFFAOYSA-N
XLogP2.40
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[4-(aminomethyl)-2,3-difluorophenyl]piperidin-4-yl]methyl]acetamide
CID 107933077
N-[[1-(2-amino-4-bromo-5-fluorophenyl)piperidin-4-yl]methyl]acetamide
CID 102735929
N-[[1-[2-(1-aminoethyl)-4-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736458
1-[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 107532475
2-[4-(acetamidomethyl)piperidin-1-yl]-4-bromobenzoic acid
CID 102736530
[2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]methanamine
CID 107532524
N-[[1-[2-(1-aminoethyl)-3-fluorophenyl]piperidin-4-yl]methyl]acetamide
CID 102736475
1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 107532368
N-[[1-(5-bromo-2-cyanophenyl)piperidin-4-yl]methyl]acetamide
CID 102736286
N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide
CID 102735902
N-[[1-[4-(hydroxymethyl)-2-methylphenyl]piperidin-4-yl]methyl]acetamide
CID 102736595
N-[[1-[2-[(1S)-1-hydroxyethyl]phenyl]piperidin-4-yl]methyl]acetamide
CID 102736626

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide (CID 107532516) is N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(c2ccc(CN)c(Br)c2F)CC1.
What is the InChIKey of N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is HSUWHLBKBBWWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN3O/c1-10(21)19-9-11-4-6-20(7-5-11)13-3-2-12(8-18)14(16)15(13)17/h2-3,11H,4-9,18H2,1H3,(H,19,21).
What are the key properties of N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 358.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(aminomethyl)-3-bromo-2-fluorophenyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 107532516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).