2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile

C15H21N3O — CID 102624103

IUPAC2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile
SMILESCCOC1CCCN(c2ccc(N)c(CC#N)c2)C1
InChIInChI=1S/C15H21N3O/c1-2-19-14-4-3-9-18(11-14)13-5-6-15(17)12(10-13)7-8-16/h5-6,10,14H,2-4,7,9,11,17H2,1H3
InChIKeyILANRVHZIZMOPA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.34
Rot. Bonds4

About 2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile

2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile (PubChem CID 102624103) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile
PubChem CID102624103
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile
SMILESCCOC1CCCN(c2ccc(N)c(CC#N)c2)C1
InChIInChI=1S/C15H21N3O/c1-2-19-14-4-3-9-18(11-14)13-5-6-15(17)12(10-13)7-8-16/h5-6,10,14H,2-4,7,9,11,17H2,1H3
InChIKeyILANRVHZIZMOPA-UHFFFAOYSA-N
XLogP2.34
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile 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-[2-amino-5-(4-propylazepan-1-yl)phenyl]acetonitrile
CID 102624388
4-(3-ethoxypiperidin-1-yl)-2-methylbenzonitrile
CID 81281915
2-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetonitrile
CID 102624311
2-[2-amino-5-(3,4-dimethoxypyrrolidin-1-yl)phenyl]acetonitrile
CID 103530598
1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]butan-2-amine
CID 63815162
5-(3-ethoxypiperidin-1-yl)-2-nitrobenzonitrile
CID 115349374
3-ethoxy-1-(4-nitrophenyl)piperidine
CID 75917775
2-[2-amino-5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]acetonitrile
CID 102624752
1-[4-(3-ethoxypiperidin-1-yl)-2-methylphenyl]propan-2-amine
CID 63817795
2-[2-amino-5-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]acetonitrile
CID 102624315
2-[2-amino-5-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]acetonitrile
CID 102777273
2-[2-amino-5-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)phenyl]acetonitrile
CID 102624588

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile (CID 102624103) is 2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile is CCOC1CCCN(c2ccc(N)c(CC#N)c2)C1.
What is the InChIKey of 2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile?
The InChIKey is ILANRVHZIZMOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-19-14-4-3-9-18(11-14)13-5-6-15(17)12(10-13)7-8-16/h5-6,10,14H,2-4,7,9,11,17H2,1H3.
What are the key properties of 2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile?
2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(3-ethoxypiperidin-1-yl)phenyl]acetonitrile is sourced from PubChem (CID 102624103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).