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

C16H17N3O — CID 62349565

IUPAC4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1OCC1CCCCN1
InChIInChI=1S/C16H17N3O/c17-9-12-10-19-15-7-2-1-6-14(15)16(12)20-11-13-5-3-4-8-18-13/h1-2,6-7,10,13,18H,3-5,8,11H2
InChIKeyXPTLWLHKYIVONS-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.63
Rot. Bonds3

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

4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile (PubChem CID 62349565) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile
PubChem CID62349565
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile
SMILESN#Cc1cnc2ccccc2c1OCC1CCCCN1
InChIInChI=1S/C16H17N3O/c17-9-12-10-19-15-7-2-1-6-14(15)16(12)20-11-13-5-3-4-8-18-13/h1-2,6-7,10,13,18H,3-5,8,11H2
InChIKeyXPTLWLHKYIVONS-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethoxy)quinoline-3-carbonitrile
CID 43669223
4-(piperidin-2-ylmethoxy)quinoline
CID 62348463
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516021
3-nitro-2-(piperidin-2-ylmethoxy)benzonitrile
CID 90038503
4-(2-piperidin-1-ylethoxy)quinoline-3-carbonitrile
CID 61103455
3-(piperidin-2-ylmethoxy)-1,2,4-benzotriazine
CID 103204981
3-(piperidin-2-ylmethoxy)benzonitrile
CID 63297477
2-bromo-4-(piperidin-2-ylmethoxy)benzonitrile
CID 107281541
4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998972
3-(piperidin-2-ylmethoxy)-1,2-benzoxazole
CID 84726604
4-(3-methylcyclohexyl)oxyquinoline-3-carbonitrile
CID 43669237

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile?
The IUPAC name of 4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile (CID 62349565) is 4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile?
The canonical SMILES for 4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile is N#Cc1cnc2ccccc2c1OCC1CCCCN1.
What is the InChIKey of 4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile?
The InChIKey is XPTLWLHKYIVONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-9-12-10-19-15-7-2-1-6-14(15)16(12)20-11-13-5-3-4-8-18-13/h1-2,6-7,10,13,18H,3-5,8,11H2.
What are the key properties of 4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile?
4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethoxy)quinoline-3-carbonitrile is sourced from PubChem (CID 62349565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).