5-(4-methoxyphenyl)-3,3-dimethylpiperidine

C14H21NO — CID 82285929

IUPAC5-(4-methoxyphenyl)-3,3-dimethylpiperidine
SMILESCOc1ccc(C2CNCC(C)(C)C2)cc1
InChIInChI=1S/C14H21NO/c1-14(2)8-12(9-15-10-14)11-4-6-13(16-3)7-5-11/h4-7,12,15H,8-10H2,1-3H3
InChIKeyAZFAKYCACMCWMY-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.80
Rot. Bonds2

About 5-(4-methoxyphenyl)-3,3-dimethylpiperidine

5-(4-methoxyphenyl)-3,3-dimethylpiperidine (PubChem CID 82285929) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3,3-dimethylpiperidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3,3-dimethylpiperidine
PubChem CID82285929
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-(4-methoxyphenyl)-3,3-dimethylpiperidine
SMILESCOc1ccc(C2CNCC(C)(C)C2)cc1
InChIInChI=1S/C14H21NO/c1-14(2)8-12(9-15-10-14)11-4-6-13(16-3)7-5-11/h4-7,12,15H,8-10H2,1-3H3
InChIKeyAZFAKYCACMCWMY-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine
CID 82302394
1-(4,4-dimethylcyclohexyl)-4-methoxybenzene
CID 18414650
3-(4-methoxyphenyl)piperidine
CID 12937920
5-(4-methoxyphenyl)piperidin-3-ol
CID 142686549
2-ethyl-6-(4-methoxyphenyl)-2-methylmorpholine
CID 65101719
1-(6-methoxynaphthalen-2-yl)-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 68950658
4-(4-methoxyphenyl)-1,2-oxazolidine
CID 105438001
1-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 84777463
(3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 155019919
(2R,4R)-4-(4-methoxyphenyl)-2-methylpyrrolidine
CID 95240960
2,2-diethyl-6-(4-methoxyphenyl)morpholine
CID 65102002
methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid
CID 159331241

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3,3-dimethylpiperidine?
The IUPAC name of 5-(4-methoxyphenyl)-3,3-dimethylpiperidine (CID 82285929) is 5-(4-methoxyphenyl)-3,3-dimethylpiperidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-3,3-dimethylpiperidine?
The canonical SMILES for 5-(4-methoxyphenyl)-3,3-dimethylpiperidine is COc1ccc(C2CNCC(C)(C)C2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3,3-dimethylpiperidine?
The InChIKey is AZFAKYCACMCWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-14(2)8-12(9-15-10-14)11-4-6-13(16-3)7-5-11/h4-7,12,15H,8-10H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-3,3-dimethylpiperidine?
5-(4-methoxyphenyl)-3,3-dimethylpiperidine has a molecular weight of 219.33 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3,3-dimethylpiperidine is sourced from PubChem (CID 82285929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).