N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine

C15H23BrN2O — CID 115888957

IUPACN-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCCOc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-12-11-18(2)9-7-15(12)17-8-10-19-14-5-3-13(16)4-6-14/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyWUWZWILLGVJJGX-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.76
Rot. Bonds5

About N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine

N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine (PubChem CID 115888957) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine
PubChem CID115888957
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine
SMILESCC1CN(C)CCC1NCCOc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-12-11-18(2)9-7-15(12)17-8-10-19-14-5-3-13(16)4-6-14/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyWUWZWILLGVJJGX-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine
CID 115714557
N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115718324
1,3-dimethyl-N-(2-propan-2-yloxyethyl)piperidin-4-amine
CID 104584715
N-[(5-bromo-2-methoxyphenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 115615486
2-[4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]phenoxy]acetonitrile
CID 115889357
N-[2-(4-bromophenoxy)ethyl]-4-methylpiperazin-1-amine
CID 83021906
2-[(1,3-dimethylpiperidin-4-yl)amino]ethanol
CID 115707421
1-[2-(4-bromophenoxy)ethyl]-2,4-dimethyl-1,4-diazepane
CID 114087188
1-(4-bromophenyl)-3-methyl-N-propylpiperidin-4-amine
CID 54975299
1,3-dimethyl-N-(3-methylbutyl)piperidin-4-amine
CID 115705278
N-[2-(4-bromophenoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 60696322
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperidine
CID 63456489

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine (CID 115888957) is N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine is CC1CN(C)CCC1NCCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine?
The InChIKey is WUWZWILLGVJJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-12-11-18(2)9-7-15(12)17-8-10-19-14-5-3-13(16)4-6-14/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine?
N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine has a molecular weight of 327.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115888957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).