2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile

C17H20N4 — CID 63886216

IUPAC2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile
SMILESCNCC1CCCCN1c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-19-12-14-6-4-5-9-21(14)17-10-13(11-18)15-7-2-3-8-16(15)20-17/h2-3,7-8,10,14,19H,4-6,9,12H2,1H3
InChIKeyMHZGUXWFXZTQJD-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.68
Rot. Bonds3

About 2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile

2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile (PubChem CID 63886216) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile
PubChem CID63886216
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile
SMILESCNCC1CCCCN1c1cc(C#N)c2ccccc2n1
InChIInChI=1S/C17H20N4/c1-19-12-14-6-4-5-9-21(14)17-10-13(11-18)15-7-2-3-8-16(15)20-17/h2-3,7-8,10,14,19H,4-6,9,12H2,1H3
InChIKeyMHZGUXWFXZTQJD-UHFFFAOYSA-N
XLogP2.68
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63886612
2-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
CID 55167783
6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 133426490
N-methyl-1-(1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 62586937
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682
2-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]quinoline-4-carbonitrile
CID 127485716
2-[(1-ethylpyrrolidin-2-yl)methylamino]quinoline-4-carbonitrile
CID 63885618
N-methyl-1-[2-(2-methylpyrrolidin-1-yl)quinolin-4-yl]methanamine
CID 55054842
N-tert-butyl-1-(4-cyanoquinolin-2-yl)piperidine-3-carboxamide
CID 165435188
2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 127386584
2-(4-aminopiperidin-1-yl)quinoline-4-carbonitrile
CID 63884859
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile?
The IUPAC name of 2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile (CID 63886216) is 2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile.
What is the SMILES notation for 2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile?
The canonical SMILES for 2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile is CNCC1CCCCN1c1cc(C#N)c2ccccc2n1.
What is the InChIKey of 2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile?
The InChIKey is MHZGUXWFXZTQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-19-12-14-6-4-5-9-21(14)17-10-13(11-18)15-7-2-3-8-16(15)20-17/h2-3,7-8,10,14,19H,4-6,9,12H2,1H3.
What are the key properties of 2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile?
2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile has a molecular weight of 280.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylaminomethyl)piperidin-1-yl]quinoline-4-carbonitrile is sourced from PubChem (CID 63886216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).