4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile

C14H19N3O — CID 81304983

IUPAC4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile
SMILESCOc1ccc(C#N)c(NCC2CCCCN2)c1
InChIInChI=1S/C14H19N3O/c1-18-13-6-5-11(9-15)14(8-13)17-10-12-4-2-3-7-16-12/h5-6,8,12,16-17H,2-4,7,10H2,1H3
InChIKeyNCMDUROIHGAAHS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.12
Rot. Bonds4

About 4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile

4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile (PubChem CID 81304983) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile
PubChem CID81304983
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile
SMILESCOc1ccc(C#N)c(NCC2CCCCN2)c1
InChIInChI=1S/C14H19N3O/c1-18-13-6-5-11(9-15)14(8-13)17-10-12-4-2-3-7-16-12/h5-6,8,12,16-17H,2-4,7,10H2,1H3
InChIKeyNCMDUROIHGAAHS-UHFFFAOYSA-N
XLogP2.12
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
4-methoxy-2-(2-piperidin-2-ylethoxy)benzonitrile
CID 81305377
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-(difluoromethoxy)-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637305
2-bromo-4-(piperidin-2-ylmethoxy)benzonitrile
CID 107281541
2-(1,4-dithian-2-ylmethylamino)-4-methoxybenzonitrile
CID 113489411
3-(piperidin-2-ylmethylamino)pyridazine-4-carbonitrile
CID 80515109
3-fluoro-5-methoxy-N-(piperidin-2-ylmethyl)aniline
CID 114262758
2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 66984484
4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922
4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633371
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile?
The IUPAC name of 4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile (CID 81304983) is 4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile.
What is the SMILES notation for 4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile?
The canonical SMILES for 4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile is COc1ccc(C#N)c(NCC2CCCCN2)c1.
What is the InChIKey of 4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile?
The InChIKey is NCMDUROIHGAAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-13-6-5-11(9-15)14(8-13)17-10-12-4-2-3-7-16-12/h5-6,8,12,16-17H,2-4,7,10H2,1H3.
What are the key properties of 4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile?
4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(piperidin-2-ylmethylamino)benzonitrile is sourced from PubChem (CID 81304983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).