5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile

C20H23N3O — CID 164601818

IUPAC5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile
SMILESCc1ccc(OCc2cccc(CC3CCNCC3)n2)c(C#N)c1
InChIInChI=1S/C20H23N3O/c1-15-5-6-20(17(11-15)13-21)24-14-19-4-2-3-18(23-19)12-16-7-9-22-10-8-16/h2-6,11,16,22H,7-10,12,14H2,1H3
InChIKeyMQJQYOFUVGWSQM-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.38
Rot. Bonds5

About 5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile

5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile (PubChem CID 164601818) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile.

Molecular Properties

Compound Name5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile
PubChem CID164601818
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile
SMILESCc1ccc(OCc2cccc(CC3CCNCC3)n2)c(C#N)c1
InChIInChI=1S/C20H23N3O/c1-15-5-6-20(17(11-15)13-21)24-14-19-4-2-3-18(23-19)12-16-7-9-22-10-8-16/h2-6,11,16,22H,7-10,12,14H2,1H3
InChIKeyMQJQYOFUVGWSQM-UHFFFAOYSA-N
XLogP3.38
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4-methylphenoxy)methyl]-6-(piperidin-4-ylmethyl)pyridine
CID 167417070
2-(cyclopentylmethoxy)-5-methylbenzonitrile
CID 107928225
5-methyl-2-(piperidin-4-ylmethylamino)benzonitrile
CID 107931532
5-bromo-2-(piperidin-4-ylmethoxy)benzonitrile
CID 90017560
4-[[2-(cyclobutylmethoxy)-5-methylphenyl]methyl]piperidine
CID 117436667
5-bromo-2-(piperidin-4-ylmethoxy)benzonitrile;hypochlorous acid
CID 90017559
4-methyl-6-[[2-[2-(piperidin-4-ylmethoxy)phenyl]phenoxy]methyl]pyridin-2-amine
CID 71769667
2-[(2-cyano-4-methylphenoxy)methyl]-1,3-benzoxazole-6-carbonitrile
CID 177195185
3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
1-[6-[(2-bromo-4-methylphenoxy)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106908164
5-methyl-2-pyrrolidin-3-ylbenzonitrile
CID 130002472
2-[2-(piperidin-4-ylmethyl)phenoxy]benzonitrile
CID 18669356

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile?
The IUPAC name of 5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile (CID 164601818) is 5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile.
What is the SMILES notation for 5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile?
The canonical SMILES for 5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile is Cc1ccc(OCc2cccc(CC3CCNCC3)n2)c(C#N)c1.
What is the InChIKey of 5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile?
The InChIKey is MQJQYOFUVGWSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-5-6-20(17(11-15)13-21)24-14-19-4-2-3-18(23-19)12-16-7-9-22-10-8-16/h2-6,11,16,22H,7-10,12,14H2,1H3.
What are the key properties of 5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile?
5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile has a molecular weight of 321.42 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[6-(piperidin-4-ylmethyl)-2-pyridinyl]methoxy]benzonitrile is sourced from PubChem (CID 164601818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).