[1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine

C15H22BrFN2 — CID 114959902

IUPAC[1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(C(C)c2cc(Br)ccc2F)CC1CN
InChIInChI=1S/C15H22BrFN2/c1-10-5-6-19(9-12(10)8-18)11(2)14-7-13(16)3-4-15(14)17/h3-4,7,10-12H,5-6,8-9,18H2,1-2H3
InChIKeyASPYCBLWXRXILC-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.57
Rot. Bonds3

About [1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine

[1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114959902) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is [1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114959902
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name[1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
SMILESCC1CCN(C(C)c2cc(Br)ccc2F)CC1CN
InChIInChI=1S/C15H22BrFN2/c1-10-5-6-19(9-12(10)8-18)11(2)14-7-13(16)3-4-15(14)17/h3-4,7,10-12H,5-6,8-9,18H2,1-2H3
InChIKeyASPYCBLWXRXILC-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[1-(2-fluorophenyl)propyl]-4-methylpiperidin-3-yl]methanamine
CID 114960156
[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959943
[1-[1-(4-iodophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114083156
[4-methyl-1-(1-naphthalen-2-ylethyl)piperidin-3-yl]methanamine
CID 114959925
2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16784586
2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624974
2-[1-[1-(5-bromo-2-fluorophenyl)ethyl]azetidin-3-yl]acetic acid
CID 82973801
1-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 82974099
[(3R,4R)-1-[1-(2,5-difluorophenyl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120758912
1-[1-(2,5-difluorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119917481
6-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678672
1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82970687

Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine (CID 114959902) is [1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine is CC1CCN(C(C)c2cc(Br)ccc2F)CC1CN.
What is the InChIKey of [1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is ASPYCBLWXRXILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-10-5-6-19(9-12(10)8-18)11(2)14-7-13(16)3-4-15(14)17/h3-4,7,10-12H,5-6,8-9,18H2,1-2H3.
What are the key properties of [1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine?
[1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 329.26 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-bromo-2-fluorophenyl)ethyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114959902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).