N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride

C15H23BrClFN2 — CID 119933025

IUPACN-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
SMILESCCCN(Cc1cc(F)ccc1Br)C1CCNCC1.Cl
InChIInChI=1S/C15H22BrFN2.ClH/c1-2-9-19(14-5-7-18-8-6-14)11-12-10-13(17)3-4-15(12)16;/h3-4,10,14,18H,2,5-9,11H2,1H3;1H
InChIKeyLERSDKGOSPVWIJ-UHFFFAOYSA-N
MW365.72 g/mol
LogP3.97
Rot. Bonds5

About N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride

N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride (PubChem CID 119933025) has the molecular formula C15H23BrClFN2 and a molecular weight of 365.72 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
PubChem CID119933025
Molecular FormulaC15H23BrClFN2
Molecular Weight365.72 g/mol
Exact Mass364.07
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
SMILESCCCN(Cc1cc(F)ccc1Br)C1CCNCC1.Cl
InChIInChI=1S/C15H22BrFN2.ClH/c1-2-9-19(14-5-7-18-8-6-14)11-12-10-13(17)3-4-15(12)16;/h3-4,10,14,18H,2,5-9,11H2,1H3;1H
InChIKeyLERSDKGOSPVWIJ-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.72
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932804
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806488
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123
N-[(2-bromophenyl)methyl]-N-propylpiperidin-4-amine
CID 54923407
N-[(2,4-difluorophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921538
N-[(3-bromo-2,6-difluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 120835456
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66215692
N-[(2,5-difluorophenyl)methyl]-N-propylazetidin-3-amine
CID 66182006
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921716
N-[(4-bromo-3-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 81436109
5-fluoro-2-[[propyl(pyrrolidin-3-yl)amino]methyl]benzonitrile
CID 63304215

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride (CID 119933025) is N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride is CCCN(Cc1cc(F)ccc1Br)C1CCNCC1.Cl.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride?
The InChIKey is LERSDKGOSPVWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2.ClH/c1-2-9-19(14-5-7-18-8-6-14)11-12-10-13(17)3-4-15(12)16;/h3-4,10,14,18H,2,5-9,11H2,1H3;1H.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride?
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride has a molecular weight of 365.72 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119933025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).