1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine

C16H27NO — CID 142009813

IUPAC1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine
SMILESCN1CCC(C)(C)CC1.COc1ccc(C)cc1
InChIInChI=1S/C8H17N.C8H10O/c1-8(2)4-6-9(3)7-5-8;1-7-3-5-8(9-2)6-4-7/h4-7H2,1-3H3;3-6H,1-2H3
InChIKeyJTVBAJPUVNULAF-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.74
Rot. Bonds1

About 1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine

1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine (PubChem CID 142009813) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine.

Molecular Properties

Compound Name1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine
PubChem CID142009813
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine
SMILESCN1CCC(C)(C)CC1.COc1ccc(C)cc1
InChIInChI=1S/C8H17N.C8H10O/c1-8(2)4-6-9(3)7-5-8;1-7-3-5-8(9-2)6-4-7/h4-7H2,1-3H3;3-6H,1-2H3
InChIKeyJTVBAJPUVNULAF-UHFFFAOYSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxy-N-methylbenzeneethanamine
CID 104735
4-(3-Methoxyphenyl)-1-methylpiperidine-4-carbonitrile
CID 79580
1-(4-Methoxybenzyl)azepane
CID 763595
4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)-1-butanol
CID 26649
Amotriphene
CID 11283
1-(6-{[4-(1,1-Dimethylethyl)phenyl]oxy}hexyl)piperazine
CID 410637
Ucl-2138
CID 2994072
4-((1-(3-(Fluoro-18F)propyl)-4-piperidinyl)methoxy)benzonitrile
CID 6918656
1-[2-(4-Methoxyphenyl)ethyl]pyrrolidine
CID 17805318
1-(3-(4-(2-Fluoroethyl)phenoxy)propyl)piperidine
CID 44592097
1-(4-(6-Methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butyl)-3,3-dimethylpiperidine
CID 10713913
1-[4-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-butyl]-3,3-dimethyl-piperidine
CID 10808860

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine?
The IUPAC name of 1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine (CID 142009813) is 1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine.
What is the SMILES notation for 1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine?
The canonical SMILES for 1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine is CN1CCC(C)(C)CC1.COc1ccc(C)cc1.
What is the InChIKey of 1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine?
The InChIKey is JTVBAJPUVNULAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C8H10O/c1-8(2)4-6-9(3)7-5-8;1-7-3-5-8(9-2)6-4-7/h4-7H2,1-3H3;3-6H,1-2H3.
What are the key properties of 1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine?
1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine has a molecular weight of 249.40 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine is sourced from PubChem (CID 142009813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).