1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine

C17H26BrNO — CID 63456682

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(Cc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C17H26BrNO/c1-4-17(5-2)8-10-19(11-9-17)13-14-12-15(18)6-7-16(14)20-3/h6-7,12H,4-5,8-11,13H2,1-3H3
InChIKeyKBCFZJRWQXQOSA-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.86
Rot. Bonds5

About 1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine

1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine (PubChem CID 63456682) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine
PubChem CID63456682
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine
SMILESCCC1(CC)CCN(Cc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C17H26BrNO/c1-4-17(5-2)8-10-19(11-9-17)13-14-12-15(18)6-7-16(14)20-3/h6-7,12H,4-5,8-11,13H2,1-3H3
InChIKeyKBCFZJRWQXQOSA-UHFFFAOYSA-N
XLogP4.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
4-[(5-bromo-2-methoxyphenyl)methyl]thiomorpholine
CID 763011
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
CID 63456658
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
ethyl 4-[(5-bromo-2-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 2846055
1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906075
1-[(5-bromo-2-methoxyphenyl)methyl]-4-(naphthalen-1-ylmethyl)piperazine
CID 4085464
1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
3-[(4,4-diethylpiperidin-1-yl)methyl]-4-ethoxyaniline
CID 63157257
2-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 62311881
1-[(5-bromo-2-methoxyphenyl)methyl]-4-methylsulfanylazepane
CID 114237822

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine (CID 63456682) is 1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine is CCC1(CC)CCN(Cc2cc(Br)ccc2OC)CC1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine?
The InChIKey is KBCFZJRWQXQOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-17(5-2)8-10-19(11-9-17)13-14-12-15(18)6-7-16(14)20-3/h6-7,12H,4-5,8-11,13H2,1-3H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine?
1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine has a molecular weight of 340.31 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine is sourced from PubChem (CID 63456682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).