N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine

C16H24BrFN2 — CID 79715714

IUPACN-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc(F)c(Br)c1)CC1CCNCC1
InChIInChI=1S/C16H24BrFN2/c1-12(2)20(10-13-5-7-19-8-6-13)11-14-3-4-16(18)15(17)9-14/h3-4,9,12-13,19H,5-8,10-11H2,1-2H3
InChIKeyHJJUSQBDEPVPHN-UHFFFAOYSA-N
MW343.28 g/mol
LogP3.80
Rot. Bonds5

About N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine

N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79715714) has the molecular formula C16H24BrFN2 and a molecular weight of 343.28 g/mol. Its IUPAC name is N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79715714
Molecular FormulaC16H24BrFN2
Molecular Weight343.28 g/mol
Exact Mass342.11
IUPAC NameN-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc(F)c(Br)c1)CC1CCNCC1
InChIInChI=1S/C16H24BrFN2/c1-12(2)20(10-13-5-7-19-8-6-13)11-14-3-4-16(18)15(17)9-14/h3-4,9,12-13,19H,5-8,10-11H2,1-2H3
InChIKeyHJJUSQBDEPVPHN-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 107692120
N-[(3,4-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715630
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 81437108
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698882
[5-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-2-fluorophenyl]boronic acid
CID 55000677
3-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]benzonitrile
CID 79715783
N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624214
4-[(3-bromo-4-fluorophenyl)methyl]azepane
CID 83262334
3-bromo-N-[(3-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpropan-1-amine
CID 80691247
N-[(3-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55191844

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79715714) is N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is CC(C)N(Cc1ccc(F)c(Br)c1)CC1CCNCC1.
What is the InChIKey of N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is HJJUSQBDEPVPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2/c1-12(2)20(10-13-5-7-19-8-6-13)11-14-3-4-16(18)15(17)9-14/h3-4,9,12-13,19H,5-8,10-11H2,1-2H3.
What are the key properties of N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 343.28 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79715714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).