8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde

C15H14F2N2O — CID 170328398

IUPAC8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde
SMILESO=Cc1cc(N2CCC(F)(F)CC2)c2ncccc2c1
InChIInChI=1S/C15H14F2N2O/c16-15(17)3-6-19(7-4-15)13-9-11(10-20)8-12-2-1-5-18-14(12)13/h1-2,5,8-10H,3-4,6-7H2
InChIKeyYOGFEGMEGOTZCE-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.28
Rot. Bonds2

About 8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde

8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde (PubChem CID 170328398) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde.

Molecular Properties

Compound Name8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde
PubChem CID170328398
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde
SMILESO=Cc1cc(N2CCC(F)(F)CC2)c2ncccc2c1
InChIInChI=1S/C15H14F2N2O/c16-15(17)3-6-19(7-4-15)13-9-11(10-20)8-12-2-1-5-18-14(12)13/h1-2,5,8-10H,3-4,6-7H2
InChIKeyYOGFEGMEGOTZCE-UHFFFAOYSA-N
XLogP3.28
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

8-(4,4-difluoropiperidin-1-yl)quinolin-6-amine
CID 170328485
6-[(1Z,3Z,5E)-2,4-difluoro-6-nitroocta-1,3,5,7-tetraenyl]-8-(4,4-difluoropiperidin-1-yl)quinoline
CID 177282887
quinoline-6,8-dicarbaldehyde
CID 119087265
8-(trifluoromethyl)quinoline-6-carbaldehyde
CID 87213949
8-piperazin-1-yl-6-propan-2-yloxyquinoline
CID 141025373
2-[[3-(6-azaspiro[2.5]octan-6-yl)-4-[[8-(4,4-difluoropiperidin-1-yl)quinolin-6-yl]carbamoyl]phenyl]sulfamoyl]ethyl (2R)-2-amino-3-methylbutanoate
CID 176791850
[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine
CID 68582946
N,N-dimethyl-8-piperazin-1-ylquinoline-6-carboxamide
CID 18414144
3-(4,4-difluoropiperidin-1-yl)quinoline
CID 144553377
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 166865983
2-(3-azaspiro[5.5]undecan-3-yl)pyridine-3-carbaldehyde
CID 114055531

Frequently Asked Questions

What is the IUPAC name of 8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde?
The IUPAC name of 8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde (CID 170328398) is 8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde.
What is the SMILES notation for 8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde?
The canonical SMILES for 8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde is O=Cc1cc(N2CCC(F)(F)CC2)c2ncccc2c1.
What is the InChIKey of 8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde?
The InChIKey is YOGFEGMEGOTZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-15(17)3-6-19(7-4-15)13-9-11(10-20)8-12-2-1-5-18-14(12)13/h1-2,5,8-10H,3-4,6-7H2.
What are the key properties of 8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde?
8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde has a molecular weight of 276.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-difluoropiperidin-1-yl)quinoline-6-carbaldehyde is sourced from PubChem (CID 170328398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).