4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile

C17H20N4 — CID 61205193

IUPAC4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCNCC1CCCN(c2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C17H20N4/c1-19-10-13-5-4-8-21(12-13)17-14(9-18)11-20-16-7-3-2-6-15(16)17/h2-3,6-7,11,13,19H,4-5,8,10,12H2,1H3
InChIKeyKGMJQHFNQFIUQQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.54
Rot. Bonds3

About 4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile

4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile (PubChem CID 61205193) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
PubChem CID61205193
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile
SMILESCNCC1CCCN(c2c(C#N)cnc3ccccc23)C1
InChIInChI=1S/C17H20N4/c1-19-10-13-5-4-8-21(12-13)17-14(9-18)11-20-16-7-3-2-6-15(16)17/h2-3,6-7,11,13,19H,4-5,8,10,12H2,1H3
InChIKeyKGMJQHFNQFIUQQ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 107225382
4-(3-propylpyrrolidin-1-yl)quinoline-3-carbonitrile
CID 115667709
4-(4-methyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 43669097
4-(3-methylpiperazin-1-yl)quinoline-3-carbonitrile
CID 55076424
4-(4,4-dimethylazepan-1-yl)quinoline-3-carbonitrile
CID 65281204
4-(2-ethylmorpholin-4-yl)quinoline-3-carbonitrile
CID 43669146
4-(4-propyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 133342726
5-[3-(methylaminomethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 113321436
N-(5-bromo-2-pyridinyl)-1-(3-cyanoquinolin-4-yl)piperidine-3-carboxamide
CID 133319063
4-(4-ethoxypiperidin-1-yl)quinoline-3-carbonitrile
CID 61217907
4-[3-(methylaminomethyl)pyrrolidin-1-yl]quinoline-3-carboxamide
CID 63267311
4-(3-cyanoquinolin-4-yl)morpholine-2-carbonitrile
CID 79033910

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile (CID 61205193) is 4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile is CNCC1CCCN(c2c(C#N)cnc3ccccc23)C1.
What is the InChIKey of 4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile?
The InChIKey is KGMJQHFNQFIUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-19-10-13-5-4-8-21(12-13)17-14(9-18)11-20-16-7-3-2-6-15(16)17/h2-3,6-7,11,13,19H,4-5,8,10,12H2,1H3.
What are the key properties of 4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile?
4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile has a molecular weight of 280.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylaminomethyl)piperidin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 61205193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).