N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine

C15H23BrN2O — CID 115615486

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCOc1ccc(Br)cc1CNC1CCN(C)CC1C
InChIInChI=1S/C15H23BrN2O/c1-11-10-18(2)7-6-14(11)17-9-12-8-13(16)4-5-15(12)19-3/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyBWSJYVFXKCXKGU-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.89
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115615486) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115615486
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine
SMILESCOc1ccc(Br)cc1CNC1CCN(C)CC1C
InChIInChI=1S/C15H23BrN2O/c1-11-10-18(2)7-6-14(11)17-9-12-8-13(16)4-5-15(12)19-3/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyBWSJYVFXKCXKGU-UHFFFAOYSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine with MolForge

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Related Compounds

3-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-4-methoxybenzonitrile
CID 114503535
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397106
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)cyclopentan-1-amine
CID 114179240
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 43710191
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-methylpyrrolidin-3-amine
CID 61462307
(3R,4S)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine;(3S,4R)-N-[(2,4-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 159445315
1-[4-[(5-bromo-2-methoxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224255
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylpiperazin-2-yl)methanamine
CID 115238664
N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115888957
N-[4-(5-bromo-2-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 81018729
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-methylpiperidin-4-amine
CID 43223597

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine (CID 115615486) is N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine is COc1ccc(Br)cc1CNC1CCN(C)CC1C.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is BWSJYVFXKCXKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11-10-18(2)7-6-14(11)17-9-12-8-13(16)4-5-15(12)19-3/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 327.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115615486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).