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

C15H22BrNO — CID 63456658

IUPAC1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
SMILESCCC1CCN(Cc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C15H22BrNO/c1-3-12-6-8-17(9-7-12)11-13-10-14(16)4-5-15(13)18-2/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyWCLGMWTWDMPYEI-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.08
Rot. Bonds4

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

1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine (PubChem CID 63456658) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
PubChem CID63456658
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
SMILESCCC1CCN(Cc2cc(Br)ccc2OC)CC1
InChIInChI=1S/C15H22BrNO/c1-3-12-6-8-17(9-7-12)11-13-10-14(16)4-5-15(13)18-2/h4-5,10,12H,3,6-9,11H2,1-2H3
InChIKeyWCLGMWTWDMPYEI-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-methoxyphenyl)methyl]-3-(bromomethyl)pyrrolidine
CID 80691732
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-methylsulfanylazepane
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1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine
CID 63456682
1-[(5-bromo-2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 119903802
1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119909997
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(3R)-3-methylpiperidin-1-yl]piperidine
CID 1333767
ethyl 4-[(5-bromo-2-methoxyphenyl)methyl]piperazine-1-carboxylate
CID 2846055
5-bromo-2-[(4-ethylazepan-1-yl)methyl]aniline
CID 79713595
1-[(5-bromo-2-methoxyphenyl)methyl]-1,4-diazepane;hydrochloride
CID 119906075

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine (CID 63456658) is 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine is CCC1CCN(Cc2cc(Br)ccc2OC)CC1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine?
The InChIKey is WCLGMWTWDMPYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-12-6-8-17(9-7-12)11-13-10-14(16)4-5-15(13)18-2/h4-5,10,12H,3,6-9,11H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine?
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine has a molecular weight of 312.25 g/mol, XLogP of 4.08, 4 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-ethylpiperidine is sourced from PubChem (CID 63456658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).