[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride

C13H19BrClFN2 — CID 119909746

IUPAC[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C13H18BrFN2.ClH/c14-12-1-2-13(15)11(7-12)9-17-5-3-10(8-16)4-6-17;/h1-2,7,10H,3-6,8-9,16H2;1H
InChIKeyAFBWAOZEKBGPGM-UHFFFAOYSA-N
MW337.66 g/mol
LogP3.18
Rot. Bonds3

About [1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride

[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 119909746) has the molecular formula C13H19BrClFN2 and a molecular weight of 337.66 g/mol. Its IUPAC name is [1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID119909746
Molecular FormulaC13H19BrClFN2
Molecular Weight337.66 g/mol
Exact Mass336.04
IUPAC Name[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCl.NCC1CCN(Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C13H18BrFN2.ClH/c14-12-1-2-13(15)11(7-12)9-17-5-3-10(8-16)4-6-17;/h1-2,7,10H,3-6,8-9,16H2;1H
InChIKeyAFBWAOZEKBGPGM-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.66
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine
CID 43438739
4-bromo-1-[(5-bromo-2-fluorophenyl)methyl]piperidine
CID 80679697
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371729
1-[(5-bromo-2-fluorophenyl)methyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038667
(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 43187006
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915607
1-[(5-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959942
2-[(5-bromo-2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234241
1-[4-(aminomethyl)cyclohexyl]-2-(5-bromo-2-fluorophenyl)ethanone
CID 116592532
[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrate;dihydrochloride
CID 90647197
[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086

Frequently Asked Questions

What is the IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride (CID 119909746) is [1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride is Cl.NCC1CCN(Cc2cc(Br)ccc2F)CC1.
What is the InChIKey of [1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is AFBWAOZEKBGPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2.ClH/c14-12-1-2-13(15)11(7-12)9-17-5-3-10(8-16)4-6-17;/h1-2,7,10H,3-6,8-9,16H2;1H.
What are the key properties of [1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride?
[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 337.66 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 119909746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).