4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine

C18H27NO — CID 117436667

IUPAC4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine
SMILESCc1ccc(OCC2CCC2)c(CC2CCNCC2)c1
InChIInChI=1S/C18H27NO/c1-14-5-6-18(20-13-16-3-2-4-16)17(11-14)12-15-7-9-19-10-8-15/h5-6,11,15-16,19H,2-4,7-10,12-13H2,1H3
InChIKeyXOTYYVZAHQRELX-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.72
Rot. Bonds5

About 4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine

4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine (PubChem CID 117436667) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine
PubChem CID117436667
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine
SMILESCc1ccc(OCC2CCC2)c(CC2CCNCC2)c1
InChIInChI=1S/C18H27NO/c1-14-5-6-18(20-13-16-3-2-4-16)17(11-14)12-15-7-9-19-10-8-15/h5-6,11,15-16,19H,2-4,7-10,12-13H2,1H3
InChIKeyXOTYYVZAHQRELX-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(cyclobutylmethoxy)-5-methylphenyl]ethyl]piperazine
CID 117466165
[2-(cyclopentylmethoxy)-5-methylphenyl]methanol
CID 63325672
1-[2-(cyclobutylmethoxy)-5-methylphenyl]propan-2-amine
CID 65459757
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031
2-[5-methyl-2-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 170887455
N-[[2-(cyclopentylmethoxy)-5-methylphenyl]methyl]cyclopropanamine
CID 55204741
4-[(2-methoxy-5-methylphenyl)methoxymethyl]piperidine
CID 55060565
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
2-(cyclopentylmethoxy)-5-methylbenzonitrile
CID 107928225
4-[(2,3-dimethoxy-5-methylphenyl)methyl]piperidine
CID 117377234
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine?
The IUPAC name of 4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine (CID 117436667) is 4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine.
What is the SMILES notation for 4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine?
The canonical SMILES for 4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine is Cc1ccc(OCC2CCC2)c(CC2CCNCC2)c1.
What is the InChIKey of 4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine?
The InChIKey is XOTYYVZAHQRELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-14-5-6-18(20-13-16-3-2-4-16)17(11-14)12-15-7-9-19-10-8-15/h5-6,11,15-16,19H,2-4,7-10,12-13H2,1H3.
What are the key properties of 4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine?
4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine has a molecular weight of 273.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine is sourced from PubChem (CID 117436667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).