N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine

C14H20BrFN2 — CID 43555455

IUPACN-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H20BrFN2/c1-10(2)18-7-5-12(6-8-18)17-14-9-11(15)3-4-13(14)16/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyGIGFDPUCFLNZST-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.87
Rot. Bonds3

About N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine

N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 43555455) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID43555455
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC NameN-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2cc(Br)ccc2F)CC1
InChIInChI=1S/C14H20BrFN2/c1-10(2)18-7-5-12(6-8-18)17-14-9-11(15)3-4-13(14)16/h3-4,9-10,12,17H,5-8H2,1-2H3
InChIKeyGIGFDPUCFLNZST-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-1-propan-2-ylazepan-4-amine
CID 65074191
4-bromo-2-[(1-propan-2-ylazepan-4-yl)amino]benzonitrile
CID 107797519
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222294
N-(4-bromo-3-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 65432364
N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
CID 65074592
4-fluoro-3-[(1-propan-2-ylazepan-4-yl)amino]benzoic acid
CID 65074474
4-(5-bromo-2-fluoroanilino)cyclohexan-1-ol
CID 106593664
N-(2-bromo-5-iodophenyl)-1-propan-2-ylpiperidin-4-amine
CID 114258870
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylazepan-4-amine
CID 65073262
N-(4-bromo-2-ethylphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 81291729
5-bromo-N-(1-cyclopentylethyl)-2-fluoroaniline
CID 63424276
4-(5-bromo-2-fluoroanilino)cyclohexane-1-carbonitrile
CID 115150017

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine (CID 43555455) is N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(Nc2cc(Br)ccc2F)CC1.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is GIGFDPUCFLNZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-10(2)18-7-5-12(6-8-18)17-14-9-11(15)3-4-13(14)16/h3-4,9-10,12,17H,5-8H2,1-2H3.
What are the key properties of N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine?
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 315.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43555455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).