2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile

C15H21N3O — CID 81304790

IUPAC2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile
SMILESCCN(c1cc(OC)ccc1C#N)C1CCCNC1
InChIInChI=1S/C15H21N3O/c1-3-18(13-5-4-8-17-11-13)15-9-14(19-2)7-6-12(15)10-16/h6-7,9,13,17H,3-5,8,11H2,1-2H3
InChIKeyLRLRRISCJBVMHB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.15
Rot. Bonds4

About 2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile

2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile (PubChem CID 81304790) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile
PubChem CID81304790
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile
SMILESCCN(c1cc(OC)ccc1C#N)C1CCCNC1
InChIInChI=1S/C15H21N3O/c1-3-18(13-5-4-8-17-11-13)15-9-14(19-2)7-6-12(15)10-16/h6-7,9,13,17H,3-5,8,11H2,1-2H3
InChIKeyLRLRRISCJBVMHB-UHFFFAOYSA-N
XLogP2.15
TPSA48.29 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(piperidin-3-yl)amino]-5-methylbenzonitrile
CID 114017453
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile
CID 81304710
5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
CID 65341307
N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 63636836
N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
CID 63670184
4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile
CID 63636825
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 65327435
5-nitro-2-[piperidin-3-yl(propyl)amino]benzonitrile
CID 63637009
N-ethyl-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperidin-3-amine
CID 79374703
2-[ethyl(piperidin-3-yl)amino]-5-nitropyridine-3-carbonitrile
CID 63637867
N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63636998
3,5-dimethoxy-N-methyl-N-piperidin-3-ylbenzamide
CID 60807213

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile?
The IUPAC name of 2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile (CID 81304790) is 2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile.
What is the SMILES notation for 2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile?
The canonical SMILES for 2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile is CCN(c1cc(OC)ccc1C#N)C1CCCNC1.
What is the InChIKey of 2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile?
The InChIKey is LRLRRISCJBVMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-18(13-5-4-8-17-11-13)15-9-14(19-2)7-6-12(15)10-16/h6-7,9,13,17H,3-5,8,11H2,1-2H3.
What are the key properties of 2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile?
2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile is sourced from PubChem (CID 81304790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).