5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile

C17H23N3O — CID 65340659

IUPAC5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNC2CCN(C3CC3)CC2)cc1C#N
InChIInChI=1S/C17H23N3O/c1-21-17-5-2-13(10-14(17)11-18)12-19-15-6-8-20(9-7-15)16-3-4-16/h2,5,10,15-16,19H,3-4,6-9,12H2,1H3
InChIKeyWGLYGFDHXBOWOR-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.28
Rot. Bonds5

About 5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile

5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile (PubChem CID 65340659) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile
PubChem CID65340659
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile
SMILESCOc1ccc(CNC2CCN(C3CC3)CC2)cc1C#N
InChIInChI=1S/C17H23N3O/c1-21-17-5-2-13(10-14(17)11-18)12-19-15-6-8-20(9-7-15)16-3-4-16/h2,5,10,15-16,19H,3-4,6-9,12H2,1H3
InChIKeyWGLYGFDHXBOWOR-UHFFFAOYSA-N
XLogP2.28
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
CID 43234267
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile
CID 43747011
2-methoxy-5-[[(2-methylcyclopentyl)amino]methyl]benzonitrile
CID 65340963
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxybenzonitrile
CID 81396043
5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-2-methoxybenzonitrile
CID 65341300
5-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 103864579
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203012
1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine
CID 43612748
5-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 65340764
1-cyclopropyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
CID 43234184
5-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]-2-methoxybenzonitrile
CID 65344235
2-methoxy-5-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile
CID 65341117

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile (CID 65340659) is 5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile is COc1ccc(CNC2CCN(C3CC3)CC2)cc1C#N.
What is the InChIKey of 5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile?
The InChIKey is WGLYGFDHXBOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-17-5-2-13(10-14(17)11-18)12-19-15-6-8-20(9-7-15)16-3-4-16/h2,5,10,15-16,19H,3-4,6-9,12H2,1H3.
What are the key properties of 5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile?
5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile has a molecular weight of 285.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65340659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).