3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine

C16H23NO2 — CID 117408157

IUPAC3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCCNC2)c1OC1CCC1
InChIInChI=1S/C16H23NO2/c1-18-15-9-3-8-14(12-5-4-10-17-11-12)16(15)19-13-6-2-7-13/h3,8-9,12-13,17H,2,4-7,10-11H2,1H3
InChIKeyGJCHVLJWXHTMQD-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.09
Rot. Bonds4

About 3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine

3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine (PubChem CID 117408157) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
PubChem CID117408157
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
SMILESCOc1cccc(C2CCCNC2)c1OC1CCC1
InChIInChI=1S/C16H23NO2/c1-18-15-9-3-8-14(12-5-4-10-17-11-12)16(15)19-13-6-2-7-13/h3,8-9,12-13,17H,2,4-7,10-11H2,1H3
InChIKeyGJCHVLJWXHTMQD-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
CID 117470801
2-methoxy-3-piperidin-3-ylaniline
CID 174616983
3-[2-(fluoromethyl)-3-methoxyphenyl]piperidine
CID 84688526
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
3-[2-(1-fluoroethyl)-3-methoxyphenyl]piperidine
CID 84700227
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
(3S)-3-(2,3-difluoro-4-methoxyphenyl)piperidine
CID 99945848
3-[2-(oxan-4-yloxy)phenyl]piperidine
CID 117408165
4-[(2-cyclobutyloxy-3-methoxyphenyl)methyl]piperidine
CID 117441033
4-(2,4-dimethoxy-3-methylphenyl)azepane
CID 82297126
2-[3-methoxy-2-(thian-4-yloxy)phenyl]pyrrolidine
CID 117473690
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine?
The IUPAC name of 3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine (CID 117408157) is 3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine.
What is the SMILES notation for 3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine?
The canonical SMILES for 3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine is COc1cccc(C2CCCNC2)c1OC1CCC1.
What is the InChIKey of 3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine?
The InChIKey is GJCHVLJWXHTMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-9-3-8-14(12-5-4-10-17-11-12)16(15)19-13-6-2-7-13/h3,8-9,12-13,17H,2,4-7,10-11H2,1H3.
What are the key properties of 3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine?
3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine has a molecular weight of 261.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine is sourced from PubChem (CID 117408157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).