N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine

C16H25BrN2O — CID 103936643

IUPACN-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCOc1cc(Br)cc(NC2CCN(CC(C)C)CC2)c1
InChIInChI=1S/C16H25BrN2O/c1-12(2)11-19-6-4-14(5-7-19)18-15-8-13(17)9-16(10-15)20-3/h8-10,12,14,18H,4-7,11H2,1-3H3
InChIKeyHFARZBABGKDWCU-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.99
Rot. Bonds5

About N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine

N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103936643) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103936643
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCOc1cc(Br)cc(NC2CCN(CC(C)C)CC2)c1
InChIInChI=1S/C16H25BrN2O/c1-12(2)11-19-6-4-14(5-7-19)18-15-8-13(17)9-16(10-15)20-3/h8-10,12,14,18H,4-7,11H2,1-3H3
InChIKeyHFARZBABGKDWCU-UHFFFAOYSA-N
XLogP3.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103739089
3-bromo-N-cyclohexyl-5-methoxyaniline
CID 82857692
4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide
CID 82858235
4-(3-bromo-5-methoxyanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83190258
N-(3-bromo-5-methoxyphenyl)-4-ethylcycloheptan-1-amine
CID 82857383
3-bromo-N-(3,4-dimethylcyclohexyl)-5-methoxyaniline
CID 82858459
1-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-2-ol
CID 126807739
N-(3-bromo-5-methoxyphenyl)-2,6-dimethyloxan-4-amine
CID 82858168
N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103932415
N-(3-fluoro-5-methoxyphenyl)-1-methylpiperidin-4-amine
CID 113347233
1-N-(3-bromo-5-methoxyphenyl)cyclohexane-1,3-diamine
CID 82858096
N-(3-bromo-5-methoxyphenyl)oxan-3-amine
CID 82857777

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine (CID 103936643) is N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine is COc1cc(Br)cc(NC2CCN(CC(C)C)CC2)c1.
What is the InChIKey of N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is HFARZBABGKDWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-12(2)11-19-6-4-14(5-7-19)18-15-8-13(17)9-16(10-15)20-3/h8-10,12,14,18H,4-7,11H2,1-3H3.
What are the key properties of N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine?
N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 341.29 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methoxyphenyl)-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103936643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).