4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine

C17H25NO3 — CID 117470870

IUPAC4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine
SMILESCOc1cc(CC2CCNCC2)ccc1OC1CCOC1
InChIInChI=1S/C17H25NO3/c1-19-17-11-14(10-13-4-7-18-8-5-13)2-3-16(17)21-15-6-9-20-12-15/h2-3,11,13,15,18H,4-10,12H2,1H3
InChIKeyDYTTUYGRNKPGTK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.40
Rot. Bonds5

About 4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine

4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine (PubChem CID 117470870) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine
PubChem CID117470870
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine
SMILESCOc1cc(CC2CCNCC2)ccc1OC1CCOC1
InChIInChI=1S/C17H25NO3/c1-19-17-11-14(10-13-4-7-18-8-5-13)2-3-16(17)21-15-6-9-20-12-15/h2-3,11,13,15,18H,4-10,12H2,1H3
InChIKeyDYTTUYGRNKPGTK-UHFFFAOYSA-N
XLogP2.40
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005119
3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005123
3-[2-methoxy-5-(piperidin-4-ylmethyl)phenoxy]piperidine
CID 117489948
4-[(4-cyclopropyl-3-methoxyphenyl)methyl]piperidine
CID 117366089
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
4-(2-methoxy-4-prop-2-enylphenoxy)piperidine
CID 56830913
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118
(3S)-3-(2-methoxyphenoxy)oxolane
CID 141103497
4-(2-methoxy-4-propylphenoxy)piperidine;hydrochloride
CID 56831182
4-[(3-chloro-4-cyclopentyloxyphenyl)methyl]piperidine
CID 117474203
2-[3-methoxy-4-(oxan-3-yloxy)phenyl]-N-methylethanamine
CID 117417850

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine?
The IUPAC name of 4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine (CID 117470870) is 4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine.
What is the SMILES notation for 4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine?
The canonical SMILES for 4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine is COc1cc(CC2CCNCC2)ccc1OC1CCOC1.
What is the InChIKey of 4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine?
The InChIKey is DYTTUYGRNKPGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-19-17-11-14(10-13-4-7-18-8-5-13)2-3-16(17)21-15-6-9-20-12-15/h2-3,11,13,15,18H,4-10,12H2,1H3.
What are the key properties of 4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine?
4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine has a molecular weight of 291.39 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]piperidine is sourced from PubChem (CID 117470870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).