2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile

C16H17N3O — CID 63886031

IUPAC2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile
SMILESN#Cc1cc(OCC2CCCNC2)nc2ccccc12
InChIInChI=1S/C16H17N3O/c17-9-13-8-16(19-15-6-2-1-5-14(13)15)20-11-12-4-3-7-18-10-12/h1-2,5-6,8,12,18H,3-4,7,10-11H2
InChIKeyKYHGEQBCYAUWRC-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.48
Rot. Bonds3

About 2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile

2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile (PubChem CID 63886031) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile.

Molecular Properties

Compound Name2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile
PubChem CID63886031
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile
SMILESN#Cc1cc(OCC2CCCNC2)nc2ccccc12
InChIInChI=1S/C16H17N3O/c17-9-13-8-16(19-15-6-2-1-5-14(13)15)20-11-12-4-3-7-18-10-12/h1-2,5-6,8,12,18H,3-4,7,10-11H2
InChIKeyKYHGEQBCYAUWRC-UHFFFAOYSA-N
XLogP2.48
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile?
The IUPAC name of 2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile (CID 63886031) is 2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile.
What is the SMILES notation for 2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile?
The canonical SMILES for 2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile is N#Cc1cc(OCC2CCCNC2)nc2ccccc12.
What is the InChIKey of 2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile?
The InChIKey is KYHGEQBCYAUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-9-13-8-16(19-15-6-2-1-5-14(13)15)20-11-12-4-3-7-18-10-12/h1-2,5-6,8,12,18H,3-4,7,10-11H2.
What are the key properties of 2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile?
2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-3-ylmethoxy)quinoline-4-carbonitrile is sourced from PubChem (CID 63886031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).