1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine

C18H29NO — CID 107914282

IUPAC1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
SMILESCc1ccc(C(C)C)cc1OCCC1CCCCN1C
InChIInChI=1S/C18H29NO/c1-14(2)16-9-8-15(3)18(13-16)20-12-10-17-7-5-6-11-19(17)4/h8-9,13-14,17H,5-7,10-12H2,1-4H3
InChIKeyNOFPAZSIRKSIOX-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.37
Rot. Bonds5

About 1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine

1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine (PubChem CID 107914282) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine.

Molecular Properties

Compound Name1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
PubChem CID107914282
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
SMILESCc1ccc(C(C)C)cc1OCCC1CCCCN1C
InChIInChI=1S/C18H29NO/c1-14(2)16-9-8-15(3)18(13-16)20-12-10-17-7-5-6-11-19(17)4/h8-9,13-14,17H,5-7,10-12H2,1-4H3
InChIKeyNOFPAZSIRKSIOX-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine
CID 107912332
1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 107911160
1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913197
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane
CID 66474354
2-(2-methoxyethoxy)-1-methyl-4-propan-2-ylbenzene
CID 112722468
(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
2,4-dimethyl-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107910970

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine?
The IUPAC name of 1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine (CID 107914282) is 1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine.
What is the SMILES notation for 1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine?
The canonical SMILES for 1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine is Cc1ccc(C(C)C)cc1OCCC1CCCCN1C.
What is the InChIKey of 1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine?
The InChIKey is NOFPAZSIRKSIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)16-9-8-15(3)18(13-16)20-12-10-17-7-5-6-11-19(17)4/h8-9,13-14,17H,5-7,10-12H2,1-4H3.
What are the key properties of 1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine?
1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine has a molecular weight of 275.44 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine is sourced from PubChem (CID 107914282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).