3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine

C18H27NO — CID 117436703

IUPAC3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine
SMILESCc1cc(C)c(OCC2CCC2)c(C2CCCNC2)c1
InChIInChI=1S/C18H27NO/c1-13-9-14(2)18(20-12-15-5-3-6-15)17(10-13)16-7-4-8-19-11-16/h9-10,15-16,19H,3-8,11-12H2,1-2H3
InChIKeyOQNFLMNJTIFLOK-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.95
Rot. Bonds4

About 3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine

3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine (PubChem CID 117436703) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine.

Molecular Properties

Compound Name3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine
PubChem CID117436703
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine
SMILESCc1cc(C)c(OCC2CCC2)c(C2CCCNC2)c1
InChIInChI=1S/C18H27NO/c1-13-9-14(2)18(20-12-15-5-3-6-15)17(10-13)16-7-4-8-19-11-16/h9-10,15-16,19H,3-8,11-12H2,1-2H3
InChIKeyOQNFLMNJTIFLOK-UHFFFAOYSA-N
XLogP3.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
CID 117449128
4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117402856
3-[[4-[3,5-dimethyl-4-(piperidin-3-ylmethoxy)phenyl]sulfanyl-2,6-dimethylphenoxy]methyl]piperidine
CID 142119956
3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
CID 15541141
3-(2,4-dimethylphenyl)piperidine
CID 10535662
2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
(3S)-3-(2,5-dimethylphenyl)piperidine
CID 92981749
(3S)-3-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]piperidine
CID 86320246
2,4-dimethyl-5-piperidin-3-ylpyridine
CID 83829631
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
2-fluoro-5-methyl-3-piperidin-3-ylphenol
CID 117298905
3-(3-fluoro-5-methylphenyl)piperidine
CID 79003681

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine?
The IUPAC name of 3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine (CID 117436703) is 3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine.
What is the SMILES notation for 3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine?
The canonical SMILES for 3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine is Cc1cc(C)c(OCC2CCC2)c(C2CCCNC2)c1.
What is the InChIKey of 3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine?
The InChIKey is OQNFLMNJTIFLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13-9-14(2)18(20-12-15-5-3-6-15)17(10-13)16-7-4-8-19-11-16/h9-10,15-16,19H,3-8,11-12H2,1-2H3.
What are the key properties of 3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine?
3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine has a molecular weight of 273.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine is sourced from PubChem (CID 117436703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).