1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride

C13H19BrCl2N2 — CID 119925159

IUPAC1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(Cc2ccc(Br)cc2Cl)CCC1N.Cl
InChIInChI=1S/C13H18BrClN2.ClH/c1-9-7-17(5-4-13(9)16)8-10-2-3-11(14)6-12(10)15;/h2-3,6,9,13H,4-5,7-8,16H2,1H3;1H
InChIKeyMGEYCEVPCZUSST-UHFFFAOYSA-N
MW354.12 g/mol
LogP3.69
Rot. Bonds2

About 1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride

1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride (PubChem CID 119925159) has the molecular formula C13H19BrCl2N2 and a molecular weight of 354.12 g/mol. Its IUPAC name is 1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
PubChem CID119925159
Molecular FormulaC13H19BrCl2N2
Molecular Weight354.12 g/mol
Exact Mass352.01
IUPAC Name1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride
SMILESCC1CN(Cc2ccc(Br)cc2Cl)CCC1N.Cl
InChIInChI=1S/C13H18BrClN2.ClH/c1-9-7-17(5-4-13(9)16)8-10-2-3-11(14)6-12(10)15;/h2-3,6,9,13H,4-5,7-8,16H2,1H3;1H
InChIKeyMGEYCEVPCZUSST-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867288
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpyrrolidine
CID 115602343
1-[(2,3-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879944
(3S)-1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperazine
CID 103885703
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
2-[(4-amino-3-methylpiperidin-1-yl)methyl]-4-chlorophenol
CID 79879742
[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 106865716
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
1-[(4-bromo-2-chlorophenyl)methyl]-4-ethylpiperazine
CID 91800436
1-[(2-chloro-4-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909314
N-[[1-[(4-bromo-2-chlorophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 115741530

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride (CID 119925159) is 1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride is CC1CN(Cc2ccc(Br)cc2Cl)CCC1N.Cl.
What is the InChIKey of 1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
The InChIKey is MGEYCEVPCZUSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClN2.ClH/c1-9-7-17(5-4-13(9)16)8-10-2-3-11(14)6-12(10)15;/h2-3,6,9,13H,4-5,7-8,16H2,1H3;1H.
What are the key properties of 1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride?
1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride has a molecular weight of 354.12 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-chlorophenyl)methyl]-3-methylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 119925159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).