2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile

C15H21N3 — CID 114017453

IUPAC2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile
SMILESCCN(c1ccc(C)cc1C#N)C1CCCNC1
InChIInChI=1S/C15H21N3/c1-3-18(14-5-4-8-17-11-14)15-7-6-12(2)9-13(15)10-16/h6-7,9,14,17H,3-5,8,11H2,1-2H3
InChIKeyGXSQJQDGCMDCSQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.44
Rot. Bonds3

About 2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile

2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile (PubChem CID 114017453) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile.

Molecular Properties

Compound Name2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile
PubChem CID114017453
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile
SMILESCCN(c1ccc(C)cc1C#N)C1CCCNC1
InChIInChI=1S/C15H21N3/c1-3-18(14-5-4-8-17-11-14)15-7-6-12(2)9-13(15)10-16/h6-7,9,14,17H,3-5,8,11H2,1-2H3
InChIKeyGXSQJQDGCMDCSQ-UHFFFAOYSA-N
XLogP2.44
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312
2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile
CID 81304790
5-nitro-2-[piperidin-3-yl(propyl)amino]benzonitrile
CID 63637009
2-[cyclopropyl(propyl)amino]-5-methylbenzonitrile
CID 107927022
5-chloro-2-[cyclopentyl(ethyl)amino]benzonitrile
CID 62494913
5-chloro-2-[methyl(piperidin-3-yl)amino]benzonitrile
CID 55249514
N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63636998
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
CID 107927296
4-methyl-2-[methyl(piperidin-3-ylmethyl)amino]benzonitrile
CID 106642777
4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile
CID 63636825
2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 63637867
N-ethyl-4,6-dimethyl-N-piperidin-3-ylpyrimidin-2-amine
CID 55245888

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile?
The IUPAC name of 2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile (CID 114017453) is 2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile.
What is the SMILES notation for 2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile?
The canonical SMILES for 2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile is CCN(c1ccc(C)cc1C#N)C1CCCNC1.
What is the InChIKey of 2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile?
The InChIKey is GXSQJQDGCMDCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-18(14-5-4-8-17-11-14)15-7-6-12(2)9-13(15)10-16/h6-7,9,14,17H,3-5,8,11H2,1-2H3.
What are the key properties of 2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile?
2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile has a molecular weight of 243.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile is sourced from PubChem (CID 114017453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).