2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine

C16H25NO2 — CID 117413709

IUPAC2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
SMILESCOc1cc(C2CCCCN2)c(OC)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)12-9-16(19-4)13(10-15(12)18-3)14-7-5-6-8-17-14/h9-11,14,17H,5-8H2,1-4H3
InChIKeyMTAGPRCLMWAKOR-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.64
Rot. Bonds4

About 2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine

2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine (PubChem CID 117413709) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine.

Molecular Properties

Compound Name2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
PubChem CID117413709
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine
SMILESCOc1cc(C2CCCCN2)c(OC)cc1C(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)12-9-16(19-4)13(10-15(12)18-3)14-7-5-6-8-17-14/h9-11,14,17H,5-8H2,1-4H3
InChIKeyMTAGPRCLMWAKOR-UHFFFAOYSA-N
XLogP3.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]piperidine
CID 117421939
2-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]piperidine
CID 117451731
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
2-[4-(fluoromethyl)-2,5-dimethoxyphenyl]pyrrolidine
CID 84701260
2-(5-bromo-2-methoxy-3-propan-2-ylphenyl)piperidine
CID 117497494
(2S)-2-(2,4-dimethoxyphenyl)piperidine
CID 7022848
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
5-bromo-4-methoxy-2-piperidin-2-ylphenol
CID 117460918
2-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)piperidine
CID 117418158
2-(2,5-dichloro-3-methoxyphenyl)piperidine
CID 117404132

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine?
The IUPAC name of 2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine (CID 117413709) is 2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine.
What is the SMILES notation for 2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine?
The canonical SMILES for 2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine is COc1cc(C2CCCCN2)c(OC)cc1C(C)C.
What is the InChIKey of 2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine?
The InChIKey is MTAGPRCLMWAKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)12-9-16(19-4)13(10-15(12)18-3)14-7-5-6-8-17-14/h9-11,14,17H,5-8H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine?
2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine has a molecular weight of 263.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxy-4-propan-2-ylphenyl)piperidine is sourced from PubChem (CID 117413709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).