4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile

C17H19N3O — CID 61103455

IUPAC4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1OCCN1CCCCC1
InChIInChI=1S/C17H19N3O/c18-12-14-13-19-16-7-3-2-6-15(16)17(14)21-11-10-20-8-4-1-5-9-20/h2-3,6-7,13H,1,4-5,8-11H2
InChIKeyBEQCYCSQVWWGRW-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.97
Rot. Bonds4

About 4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile

4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile (PubChem CID 61103455) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile
PubChem CID61103455
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1OCCN1CCCCC1
InChIInChI=1S/C17H19N3O/c18-12-14-13-19-16-7-3-2-6-15(16)17(14)21-11-10-20-8-4-1-5-9-20/h2-3,6-7,13H,1,4-5,8-11H2
InChIKeyBEQCYCSQVWWGRW-UHFFFAOYSA-N
XLogP2.97
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile
CID 107107531
4-(4-propyl-1,4-diazepan-1-yl)quinoline-3-carbonitrile
CID 133342726
4-[2-(diethylamino)ethoxy]quinoline-3-carbonitrile
CID 61103055
3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22684728
4-[2-(2-methylpropoxy)ethoxy]quinoline-3-carbonitrile
CID 106447581
4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile
CID 62349565
4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304
4-[(6-methylcyclohex-3-en-1-yl)methoxy]quinoline-3-carbonitrile
CID 43669241
4-but-3-yn-2-yloxyquinoline-3-carbonitrile
CID 106794946
4-(3,5-difluorophenoxy)quinoline-3-carbonitrile
CID 62783932
2-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]quinoline-4-carbonitrile
CID 127386584
4-(4-hydroxyphenoxy)quinoline-3-carbonitrile
CID 60870090

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile?
The IUPAC name of 4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile (CID 61103455) is 4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile?
The canonical SMILES for 4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1OCCN1CCCCC1.
What is the InChIKey of 4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile?
The InChIKey is BEQCYCSQVWWGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-12-14-13-19-16-7-3-2-6-15(16)17(14)21-11-10-20-8-4-1-5-9-20/h2-3,6-7,13H,1,4-5,8-11H2.
What are the key properties of 4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile?
4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 61103455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).