3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine

C18H22N2O2 — CID 56897495

IUPAC3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine
SMILESCOc1ccccc1OC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H22N2O2/c1-21-17-6-2-3-7-18(17)22-16-8-11-20(12-9-16)14-15-5-4-10-19-13-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3
InChIKeyBABWGRVIQIOXLC-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.13
Rot. Bonds5

About 3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine

3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine (PubChem CID 56897495) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine
PubChem CID56897495
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine
SMILESCOc1ccccc1OC1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C18H22N2O2/c1-21-17-6-2-3-7-18(17)22-16-8-11-20(12-9-16)14-15-5-4-10-19-13-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3
InChIKeyBABWGRVIQIOXLC-UHFFFAOYSA-N
XLogP3.13
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 11666852
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CID 46209194
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CID 703616
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CID 46207731
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CID 25180306
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CID 792584
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CID 2960264
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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine (CID 56897495) is 3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine is COc1ccccc1OC1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine?
The InChIKey is BABWGRVIQIOXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-21-17-6-2-3-7-18(17)22-16-8-11-20(12-9-16)14-15-5-4-10-19-13-15/h2-7,10,13,16H,8-9,11-12,14H2,1H3.
What are the key properties of 3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine?
3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine has a molecular weight of 298.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methoxyphenoxy)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 56897495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).