N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine

C16H24BrFN2 — CID 81002478

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine
SMILESCCCCN1CCC(NCc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C16H24BrFN2/c1-2-3-8-20-9-6-14(7-10-20)19-12-13-4-5-15(17)16(18)11-13/h4-5,11,14,19H,2-3,6-10,12H2,1H3
InChIKeyISBFUXSLYSTWMI-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.94
Rot. Bonds6

About N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine

N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine (PubChem CID 81002478) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine
PubChem CID81002478
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine
SMILESCCCCN1CCC(NCc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C16H24BrFN2/c1-2-3-8-20-9-6-14(7-10-20)19-12-13-4-5-15(17)16(18)11-13/h4-5,11,14,19H,2-3,6-10,12H2,1H3
InChIKeyISBFUXSLYSTWMI-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[[(1-propylpiperidin-4-yl)amino]methyl]benzoic acid
CID 106699931
1-[(4-bromo-3-fluorophenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017704
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 103784727
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
1-butyl-N-[(4-nitrophenyl)methyl]piperidin-4-amine
CID 43748215
N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
CID 43281201
1-butyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 119127138
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-butylpiperidin-4-amine
CID 102834010
2,6-dibromo-4-[[(1-propylpiperidin-4-yl)amino]methyl]phenol
CID 103603286
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-[2-(methylamino)ethyl]piperidin-4-amine
CID 143375714
N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
CID 65479012
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine (CID 81002478) is N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine is CCCCN1CCC(NCc2ccc(Br)c(F)c2)CC1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine?
The InChIKey is ISBFUXSLYSTWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-2-3-8-20-9-6-14(7-10-20)19-12-13-4-5-15(17)16(18)11-13/h4-5,11,14,19H,2-3,6-10,12H2,1H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine?
N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine has a molecular weight of 343.28 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine is sourced from PubChem (CID 81002478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).