4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine

C17H25NO — CID 117402856

IUPAC4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
SMILESCc1cc(C)c(OCC2CC2)c(C2CCNCC2)c1
InChIInChI=1S/C17H25NO/c1-12-9-13(2)17(19-11-14-3-4-14)16(10-12)15-5-7-18-8-6-15/h9-10,14-15,18H,3-8,11H2,1-2H3
InChIKeyJSCCASBOEIBLCF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.56
Rot. Bonds4

About 4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine

4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine (PubChem CID 117402856) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine.

Molecular Properties

Compound Name4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
PubChem CID117402856
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine
SMILESCc1cc(C)c(OCC2CC2)c(C2CCNCC2)c1
InChIInChI=1S/C17H25NO/c1-12-9-13(2)17(19-11-14-3-4-14)16(10-12)15-5-7-18-8-6-15/h9-10,14-15,18H,3-8,11H2,1-2H3
InChIKeyJSCCASBOEIBLCF-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(cyclobutylmethoxy)-3,5-dimethylphenyl]piperidine
CID 117436703
3-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]pyrrolidine
CID 117449128
4-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421628
1-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperazine
CID 117438814
4-(2,3,5-trimethylphenyl)piperidine
CID 117292122
2-(cyclobutylmethoxy)-3,5-dimethylphenol
CID 84674450
2-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]piperidine
CID 117436647
4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
CID 171115591
N-[[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]hydroxylamine
CID 117316662
2-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]-2-oxoacetic acid
CID 117373340
4-(3-bromo-2,4-dimethoxy-5-methylphenyl)piperidine
CID 117499537
4-[(3,4-dimethylphenoxy)methyl]piperidine;hydrochloride
CID 56831093

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine?
The IUPAC name of 4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine (CID 117402856) is 4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine.
What is the SMILES notation for 4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine?
The canonical SMILES for 4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine is Cc1cc(C)c(OCC2CC2)c(C2CCNCC2)c1.
What is the InChIKey of 4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine?
The InChIKey is JSCCASBOEIBLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-9-13(2)17(19-11-14-3-4-14)16(10-12)15-5-7-18-8-6-15/h9-10,14-15,18H,3-8,11H2,1-2H3.
What are the key properties of 4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine?
4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine has a molecular weight of 259.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylmethoxy)-3,5-dimethylphenyl]piperidine is sourced from PubChem (CID 117402856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).