4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine

C16H24BrNO — CID 79321574

IUPAC4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine
SMILESCOc1ccc(Br)cc1C1CCNCC1CC(C)C
InChIInChI=1S/C16H24BrNO/c1-11(2)8-12-10-18-7-6-14(12)15-9-13(17)4-5-16(15)19-3/h4-5,9,11-12,14,18H,6-8,10H2,1-3H3
InChIKeyRCIPGXZMLAVWBZ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.20
Rot. Bonds4

About 4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine

4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine (PubChem CID 79321574) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine
PubChem CID79321574
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine
SMILESCOc1ccc(Br)cc1C1CCNCC1CC(C)C
InChIInChI=1S/C16H24BrNO/c1-11(2)8-12-10-18-7-6-14(12)15-9-13(17)4-5-16(15)19-3/h4-5,9,11-12,14,18H,6-8,10H2,1-3H3
InChIKeyRCIPGXZMLAVWBZ-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)-3-(2-methylpropyl)piperidine
CID 79321198
4-(2-fluoro-5-methylphenyl)-3-(2-methylpropyl)piperidine
CID 114055081
2-(5-bromo-2-methoxyphenyl)piperazine
CID 82093166
4-(5-bromothiophen-2-yl)-3-(2-methylpropyl)piperidine
CID 79321477
4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine
CID 79978067
N-[[2-(5-bromo-2-methoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708919
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
2-(5-bromo-2-methoxyphenyl)aziridine
CID 82473824
[4-(2-methoxyphenyl)piperidin-3-yl]methanol
CID 70454555
4-(3-methylphenyl)-3-(2-methylpropyl)piperidine
CID 79320999
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584
(2S)-2-(5-bromo-2-methoxyphenyl)azetidine;hydrochloride
CID 171196708

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine?
The IUPAC name of 4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine (CID 79321574) is 4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine is COc1ccc(Br)cc1C1CCNCC1CC(C)C.
What is the InChIKey of 4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine?
The InChIKey is RCIPGXZMLAVWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-11(2)8-12-10-18-7-6-14(12)15-9-13(17)4-5-16(15)19-3/h4-5,9,11-12,14,18H,6-8,10H2,1-3H3.
What are the key properties of 4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine?
4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine has a molecular weight of 326.28 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-methoxyphenyl)-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 79321574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).