3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine

C15H22BrNO — CID 117497365

IUPAC3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine
SMILESCCc1cc(Br)cc(CC2CCCNC2)c1OC
InChIInChI=1S/C15H22BrNO/c1-3-12-8-14(16)9-13(15(12)18-2)7-11-5-4-6-17-10-11/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyCJCNOPRNCZRGBZ-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.56
Rot. Bonds4

About 3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine

3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine (PubChem CID 117497365) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine
PubChem CID117497365
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine
SMILESCCc1cc(Br)cc(CC2CCCNC2)c1OC
InChIInChI=1S/C15H22BrNO/c1-3-12-8-14(16)9-13(15(12)18-2)7-11-5-4-6-17-10-11/h8-9,11,17H,3-7,10H2,1-2H3
InChIKeyCJCNOPRNCZRGBZ-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 84813511
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
3-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]piperidine
CID 117398044
3-[(3-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine
CID 117470959
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
CID 39345701
(3R)-3-[(4-bromo-2-ethylphenoxy)methyl]piperidine
CID 86321965
3-[(5-fluoro-2-methoxy-3-methylsulfonylphenyl)methyl]piperidine
CID 117485588
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-[(3-chloro-2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117464468
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine?
The IUPAC name of 3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine (CID 117497365) is 3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine is CCc1cc(Br)cc(CC2CCCNC2)c1OC.
What is the InChIKey of 3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine?
The InChIKey is CJCNOPRNCZRGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-12-8-14(16)9-13(15(12)18-2)7-11-5-4-6-17-10-11/h8-9,11,17H,3-7,10H2,1-2H3.
What are the key properties of 3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine?
3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine has a molecular weight of 312.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-ethyl-2-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117497365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).