4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine

C17H26N2O2 — CID 117469507

IUPAC4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine
SMILESCOc1cc(C2CCNC2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C17H26N2O2/c1-19-9-6-15(7-10-19)21-16-4-3-13(11-17(16)20-2)14-5-8-18-12-14/h3-4,11,14-15,18H,5-10,12H2,1-2H3
InChIKeyROCYXCVEWJDJKT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.25
Rot. Bonds4

About 4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine

4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine (PubChem CID 117469507) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine
PubChem CID117469507
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine
SMILESCOc1cc(C2CCNC2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C17H26N2O2/c1-19-9-6-15(7-10-19)21-16-4-3-13(11-17(16)20-2)14-5-8-18-12-14/h3-4,11,14-15,18H,5-10,12H2,1-2H3
InChIKeyROCYXCVEWJDJKT-UHFFFAOYSA-N
XLogP2.25
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
4-(2-methoxy-4-piperidin-2-ylphenoxy)-1-methylpiperidine
CID 117489913
3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine
CID 117489897
(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
CID 130969820
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 84705043
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
CID 82620503
3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117391565
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine
CID 117448460
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine
CID 117469530
3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine
CID 117452505

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine?
The IUPAC name of 4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine (CID 117469507) is 4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine.
What is the SMILES notation for 4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine?
The canonical SMILES for 4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine is COc1cc(C2CCNC2)ccc1OC1CCN(C)CC1.
What is the InChIKey of 4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine?
The InChIKey is ROCYXCVEWJDJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-9-6-15(7-10-19)21-16-4-3-13(11-17(16)20-2)14-5-8-18-12-14/h3-4,11,14-15,18H,5-10,12H2,1-2H3.
What are the key properties of 4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine?
4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine has a molecular weight of 290.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine is sourced from PubChem (CID 117469507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).