2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile

C15H22N4 — CID 102624597

IUPAC2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile
SMILESCC1CCCC(C)N1Nc1ccc(N)c(CC#N)c1
InChIInChI=1S/C15H22N4/c1-11-4-3-5-12(2)19(11)18-14-6-7-15(17)13(10-14)8-9-16/h6-7,10-12,18H,3-5,8,17H2,1-2H3
InChIKeyLFKXFYVTPJVTHO-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.92
Rot. Bonds3

About 2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile

2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile (PubChem CID 102624597) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile
PubChem CID102624597
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile
SMILESCC1CCCC(C)N1Nc1ccc(N)c(CC#N)c1
InChIInChI=1S/C15H22N4/c1-11-4-3-5-12(2)19(11)18-14-6-7-15(17)13(10-14)8-9-16/h6-7,10-12,18H,3-5,8,17H2,1-2H3
InChIKeyLFKXFYVTPJVTHO-UHFFFAOYSA-N
XLogP2.92
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-(cyclobutylamino)phenyl]acetonitrile
CID 102624243
2-[2-amino-5-[(2-hydroxycyclopentyl)methylamino]phenyl]acetonitrile
CID 102624457
2-[2-amino-5-[(2-hydroxycyclohexyl)amino]phenyl]acetonitrile
CID 102624240
2-[2-amino-5-(methylamino)phenyl]acetonitrile
CID 102623706
2-[2-amino-5-[2-[cyclopentyl(methyl)amino]ethylamino]phenyl]acetonitrile
CID 102624332
2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide
CID 83023670
2-[2-amino-5-[(1-methylpyrrolidin-2-yl)methylamino]phenyl]acetonitrile
CID 106022810
2-[2-amino-5-[(3-ethylcyclohexyl)amino]phenyl]acetonitrile
CID 102624414
2-[2-amino-5-[(1-methylcyclobutyl)amino]phenyl]acetonitrile
CID 102624696
2-[2-amino-5-[(2,2-dimethylcyclopropyl)amino]phenyl]acetonitrile
CID 102624187
2-[2-amino-5-(2-cyclopentylethylamino)phenyl]acetonitrile
CID 102623958
2-[2-amino-5-[(2-propan-2-ylcyclohexyl)amino]phenyl]acetonitrile
CID 102624577

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile (CID 102624597) is 2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile is CC1CCCC(C)N1Nc1ccc(N)c(CC#N)c1.
What is the InChIKey of 2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile?
The InChIKey is LFKXFYVTPJVTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-4-3-5-12(2)19(11)18-14-6-7-15(17)13(10-14)8-9-16/h6-7,10-12,18H,3-5,8,17H2,1-2H3.
What are the key properties of 2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile?
2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]phenyl]acetonitrile is sourced from PubChem (CID 102624597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).