5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine

C17H27NO — CID 82302394

IUPAC5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine
SMILESCOc1ccc(C2CNCC(C)(C)C2)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15-8-13(6-7-16(15)19-5)14-9-17(3,4)11-18-10-14/h6-8,12,14,18H,9-11H2,1-5H3
InChIKeyVXBBBICZHVJSDP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.92
Rot. Bonds3

About 5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine

5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine (PubChem CID 82302394) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine.

Molecular Properties

Compound Name5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine
PubChem CID82302394
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine
SMILESCOc1ccc(C2CNCC(C)(C)C2)cc1C(C)C
InChIInChI=1S/C17H27NO/c1-12(2)15-8-13(6-7-16(15)19-5)14-9-17(3,4)11-18-10-14/h6-8,12,14,18H,9-11H2,1-5H3
InChIKeyVXBBBICZHVJSDP-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyphenyl)-3,3-dimethylpiperidine
CID 82285929
4-(4-methoxy-3-propan-2-ylphenyl)azepane
CID 82296013
2-(4-methoxy-3-propan-2-ylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116841983
5-(4-ethylphenyl)-3,3-dimethylpiperidine
CID 82285256
3-[3,4-di(propan-2-yl)phenyl]azetidine
CID 176820214
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685
(4S)-4-(3,4-dimethoxyphenyl)-3,3-dimethylpyrrolidine
CID 129407376
5-(4-methoxy-3-propan-2-ylphenyl)-2-methylmorpholine
CID 82297024
3-(2-methoxy-5-propan-2-ylphenyl)azetidine
CID 82283096
3-(4-methoxy-3-propan-2-ylphenyl)pyrrolidin-2-one
CID 82129055
azetidin-3-yl-(4-methoxy-3-propan-2-ylphenyl)methanamine
CID 116935299

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine?
The IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine (CID 82302394) is 5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine.
What is the SMILES notation for 5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine?
The canonical SMILES for 5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine is COc1ccc(C2CNCC(C)(C)C2)cc1C(C)C.
What is the InChIKey of 5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine?
The InChIKey is VXBBBICZHVJSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12(2)15-8-13(6-7-16(15)19-5)14-9-17(3,4)11-18-10-14/h6-8,12,14,18H,9-11H2,1-5H3.
What are the key properties of 5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine?
5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine has a molecular weight of 261.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-propan-2-ylphenyl)-3,3-dimethylpiperidine is sourced from PubChem (CID 82302394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).