4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine

C16H25NO — CID 116925692

IUPAC4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine
SMILESCOc1ccc(CCC2CCNCC2)c(C)c1C
InChIInChI=1S/C16H25NO/c1-12-13(2)16(18-3)7-6-15(12)5-4-14-8-10-17-11-9-14/h6-7,14,17H,4-5,8-11H2,1-3H3
InChIKeyCHEFZPZAWCQLHC-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.24
Rot. Bonds4

About 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine

4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine (PubChem CID 116925692) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine
PubChem CID116925692
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine
SMILESCOc1ccc(CCC2CCNCC2)c(C)c1C
InChIInChI=1S/C16H25NO/c1-12-13(2)16(18-3)7-6-15(12)5-4-14-8-10-17-11-9-14/h6-7,14,17H,4-5,8-11H2,1-3H3
InChIKeyCHEFZPZAWCQLHC-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118464
4-[2-(5-chloro-2-methoxyphenyl)ethyl]piperidine
CID 75357498
1-(4-methoxy-2,3-dimethylphenyl)-2-piperidin-4-ylethanamine
CID 116936485
4-[3-(2-methoxyphenyl)propyl]piperidine
CID 22751111
4-[(3-fluoro-2,4-dimethoxyphenyl)methyl]piperidine
CID 117386375
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
3-[(3-bromo-4-methoxy-2-methylphenyl)methyl]pyrrolidine
CID 84812866
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208814
4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
CID 117413527
4-[(3,4-dimethoxy-2-methylsulfanylphenyl)methyl]piperidine
CID 117451931
2-methyl-3-(2-piperidin-4-ylethyl)benzaldehyde
CID 54108887
4-[(2,3,4-trimethylphenyl)methyl]piperidine
CID 116925401

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine?
The IUPAC name of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine (CID 116925692) is 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine?
The canonical SMILES for 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine is COc1ccc(CCC2CCNCC2)c(C)c1C.
What is the InChIKey of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine?
The InChIKey is CHEFZPZAWCQLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-13(2)16(18-3)7-6-15(12)5-4-14-8-10-17-11-9-14/h6-7,14,17H,4-5,8-11H2,1-3H3.
What are the key properties of 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine?
4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidine is sourced from PubChem (CID 116925692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).