4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile

C16H23N3O — CID 106792832

IUPAC4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
SMILESCCC1CN(Cc2ccc(C#N)c(OC)c2)CCC1N
InChIInChI=1S/C16H23N3O/c1-3-13-11-19(7-6-15(13)18)10-12-4-5-14(9-17)16(8-12)20-2/h4-5,8,13,15H,3,6-7,10-11,18H2,1-2H3
InChIKeyIEQNZTXKQCSHEQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.13
Rot. Bonds4

About 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile

4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile (PubChem CID 106792832) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
PubChem CID106792832
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
SMILESCCC1CN(Cc2ccc(C#N)c(OC)c2)CCC1N
InChIInChI=1S/C16H23N3O/c1-3-13-11-19(7-6-15(13)18)10-12-4-5-14(9-17)16(8-12)20-2/h4-5,8,13,15H,3,6-7,10-11,18H2,1-2H3
InChIKeyIEQNZTXKQCSHEQ-UHFFFAOYSA-N
XLogP2.13
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-aminopyrrolidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792748
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788214
2-methoxy-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzonitrile
CID 106788215
2-methoxy-4-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile
CID 106792751
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81456953
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788298
2-methoxy-5-[(4-propylpiperidin-1-yl)methyl]benzonitrile
CID 65343978
3-ethyl-1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81457828
(3R)-1-[(3-bromo-4-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 115301915
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpiperidin-4-amine
CID 81457163
methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate
CID 81457170
4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-2-methoxybenzonitrile
CID 106788312

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile?
The IUPAC name of 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile (CID 106792832) is 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile is CCC1CN(Cc2ccc(C#N)c(OC)c2)CCC1N.
What is the InChIKey of 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile?
The InChIKey is IEQNZTXKQCSHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-13-11-19(7-6-15(13)18)10-12-4-5-14(9-17)16(8-12)20-2/h4-5,8,13,15H,3,6-7,10-11,18H2,1-2H3.
What are the key properties of 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile?
4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 106792832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).