[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride

C13H19BrClFN2 — CID 119915607

IUPAC[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(Cc2ccc(Br)cc2F)C1
InChIInChI=1S/C13H18BrFN2.ClH/c14-12-4-3-11(13(15)6-12)9-17-5-1-2-10(7-16)8-17;/h3-4,6,10H,1-2,5,7-9,16H2;1H
InChIKeyVVCNTFMPFVOUEI-UHFFFAOYSA-N
MW337.66 g/mol
LogP3.18
Rot. Bonds3

About [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride

[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride (PubChem CID 119915607) has the molecular formula C13H19BrClFN2 and a molecular weight of 337.66 g/mol. Its IUPAC name is [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
PubChem CID119915607
Molecular FormulaC13H19BrClFN2
Molecular Weight337.66 g/mol
Exact Mass336.04
IUPAC Name[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
SMILESCl.NCC1CCCN(Cc2ccc(Br)cc2F)C1
InChIInChI=1S/C13H18BrFN2.ClH/c14-12-4-3-11(13(15)6-12)9-17-5-1-2-10(7-16)8-17;/h3-4,6,10H,1-2,5,7-9,16H2;1H
InChIKeyVVCNTFMPFVOUEI-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-3-amine;hydrochloride
CID 119910008
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
1-[(4-bromo-2-fluorophenyl)methyl]-3-(chloromethyl)piperidine
CID 55183140
[1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanamine;hydrochloride
CID 120836748
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine
CID 43438739
N-[[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62592901
[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915534
[1-[(4-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119926963
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
N-(2-aminoethyl)-1-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119916793
1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
CID 65245079
[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915654

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride (CID 119915607) is [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride is Cl.NCC1CCCN(Cc2ccc(Br)cc2F)C1.
What is the InChIKey of [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
The InChIKey is VVCNTFMPFVOUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2.ClH/c14-12-4-3-11(13(15)6-12)9-17-5-1-2-10(7-16)8-17;/h3-4,6,10H,1-2,5,7-9,16H2;1H.
What are the key properties of [1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride?
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-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-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 119915607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).