1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine

C15H23NO2 — CID 166722775

IUPAC1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine
SMILESCOc1cc(C)cc(OC)c1CN1CCCCC1
InChIInChI=1S/C15H23NO2/c1-12-9-14(17-2)13(15(10-12)18-3)11-16-7-5-4-6-8-16/h9-10H,4-8,11H2,1-3H3
InChIKeyKNDZCNQAZOYJPR-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.00
Rot. Bonds4

About 1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine

1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine (PubChem CID 166722775) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine
PubChem CID166722775
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine
SMILESCOc1cc(C)cc(OC)c1CN1CCCCC1
InChIInChI=1S/C15H23NO2/c1-12-9-14(17-2)13(15(10-12)18-3)11-16-7-5-4-6-8-16/h9-10H,4-8,11H2,1-3H3
InChIKeyKNDZCNQAZOYJPR-UHFFFAOYSA-N
XLogP3.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 57236214
[3,5-dimethoxy-4-(piperidin-1-ylmethyl)phenyl] trifluoromethanesulfonate
CID 58266306
3-chloro-5-methoxy-4-(piperidin-1-ylmethyl)benzoic acid
CID 134548703
1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 90278828
1-[3-(2,6-dimethoxy-4-methylphenyl)propyl]-4-methylpiperazine
CID 170862913
4-[[3,5-dimethoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3-(2-pyrrolidin-1-ylethoxy)phenol
CID 173255910
1-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1,4-diazepane
CID 82485738
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
2-methoxy-4-methyl-6-(morpholin-4-ylmethyl)phenol
CID 58662167
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185
2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine?
The IUPAC name of 1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine (CID 166722775) is 1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine?
The canonical SMILES for 1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine is COc1cc(C)cc(OC)c1CN1CCCCC1.
What is the InChIKey of 1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine?
The InChIKey is KNDZCNQAZOYJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-9-14(17-2)13(15(10-12)18-3)11-16-7-5-4-6-8-16/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine?
1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine has a molecular weight of 249.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethoxy-4-methylphenyl)methyl]piperidine is sourced from PubChem (CID 166722775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).