2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine

C16H23NO2 — CID 117408287

IUPAC2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCCN2)ccc1OC1CC1
InChIInChI=1S/C16H23NO2/c1-18-16-11-12(10-13-4-2-3-9-17-13)5-8-15(16)19-14-6-7-14/h5,8,11,13-14,17H,2-4,6-7,9-10H2,1H3
InChIKeyOSIUJRHIMPXAKJ-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.92
Rot. Bonds5

About 2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine

2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine (PubChem CID 117408287) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
PubChem CID117408287
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine
SMILESCOc1cc(CC2CCCCN2)ccc1OC1CC1
InChIInChI=1S/C16H23NO2/c1-18-16-11-12(10-13-4-2-3-9-17-13)5-8-15(16)19-14-6-7-14/h5,8,11,13-14,17H,2-4,6-7,9-10H2,1H3
InChIKeyOSIUJRHIMPXAKJ-UHFFFAOYSA-N
XLogP2.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine
CID 117489930
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
2-[[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]methyl]pyrrolidine
CID 117442925
2-[[3-(fluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 117347458
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
2-[(4-methoxy-3-phenylphenyl)methyl]piperidine
CID 117451820
2-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]pyrrolidine
CID 117355063
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-[(3-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386331
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
2-[(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)methyl]pyrrolidine
CID 117494580

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine (CID 117408287) is 2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine is COc1cc(CC2CCCCN2)ccc1OC1CC1.
What is the InChIKey of 2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine?
The InChIKey is OSIUJRHIMPXAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-16-11-12(10-13-4-2-3-9-17-13)5-8-15(16)19-14-6-7-14/h5,8,11,13-14,17H,2-4,6-7,9-10H2,1H3.
What are the key properties of 2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine?
2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine has a molecular weight of 261.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyloxy-3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 117408287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).