3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine

C18H28N2O2 — CID 117489897

IUPAC3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine
SMILESCOc1ccc(C2CCNCC2)cc1OC1CCCN(C)C1
InChIInChI=1S/C18H28N2O2/c1-20-11-3-4-16(13-20)22-18-12-15(5-6-17(18)21-2)14-7-9-19-10-8-14/h5-6,12,14,16,19H,3-4,7-11,13H2,1-2H3
InChIKeyUSZSLJDBZUGLBF-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.64
Rot. Bonds4

About 3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine

3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine (PubChem CID 117489897) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine.

Molecular Properties

Compound Name3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine
PubChem CID117489897
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine
SMILESCOc1ccc(C2CCNCC2)cc1OC1CCCN(C)C1
InChIInChI=1S/C18H28N2O2/c1-20-11-3-4-16(13-20)22-18-12-15(5-6-17(18)21-2)14-7-9-19-10-8-14/h5-6,12,14,16,19H,3-4,7-11,13H2,1-2H3
InChIKeyUSZSLJDBZUGLBF-UHFFFAOYSA-N
XLogP2.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.64
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-pyrrolidin-3-ylphenoxy)-1-methylpiperidine
CID 117469507
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]piperidine
CID 117448460
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine
CID 117469530
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
CID 117417074
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
CID 117448362
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol
CID 117444399
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117473467
1-methyl-3-(4-piperidin-3-ylphenoxy)piperidine
CID 117438888
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde
CID 11778917

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine?
The IUPAC name of 3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine (CID 117489897) is 3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine.
What is the SMILES notation for 3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine?
The canonical SMILES for 3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine is COc1ccc(C2CCNCC2)cc1OC1CCCN(C)C1.
What is the InChIKey of 3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine?
The InChIKey is USZSLJDBZUGLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20-11-3-4-16(13-20)22-18-12-15(5-6-17(18)21-2)14-7-9-19-10-8-14/h5-6,12,14,16,19H,3-4,7-11,13H2,1-2H3.
What are the key properties of 3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine?
3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine has a molecular weight of 304.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine is sourced from PubChem (CID 117489897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).