8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde

C15H15ClN2O — CID 20983112

IUPAC8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde
SMILESO=Cc1cc2cccc(Cl)c2nc1N1CCCCC1
InChIInChI=1S/C15H15ClN2O/c16-13-6-4-5-11-9-12(10-19)15(17-14(11)13)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2
InChIKeyJVFCAKDDIIJMLZ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.69
Rot. Bonds2

About 8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde

8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde (PubChem CID 20983112) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde
PubChem CID20983112
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde
SMILESO=Cc1cc2cccc(Cl)c2nc1N1CCCCC1
InChIInChI=1S/C15H15ClN2O/c16-13-6-4-5-11-9-12(10-19)15(17-14(11)13)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2
InChIKeyJVFCAKDDIIJMLZ-UHFFFAOYSA-N
XLogP3.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.69
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

7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983139
8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983156
8-chloro-2-phenylquinoline-3-carbaldehyde
CID 86701166
8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde
CID 20983069
8-chloro-3-methyl-2-piperazin-1-ylquinoline
CID 84638749
2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 11482301
7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 857615
1-[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]ethanone
CID 91664415
[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone
CID 66776677
2-chloro-4-piperidin-1-ylbenzaldehyde;hydrochloride
CID 44890760
2-chloro-4-pyrrolidin-1-ylbenzaldehyde
CID 7148620
2-(4-cyclopropylpiperazin-1-yl)quinoline-3-carbaldehyde
CID 61441804

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde?
The IUPAC name of 8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde (CID 20983112) is 8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde.
What is the SMILES notation for 8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde?
The canonical SMILES for 8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde is O=Cc1cc2cccc(Cl)c2nc1N1CCCCC1.
What is the InChIKey of 8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde?
The InChIKey is JVFCAKDDIIJMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c16-13-6-4-5-11-9-12(10-19)15(17-14(11)13)18-7-2-1-3-8-18/h4-6,9-10H,1-3,7-8H2.
What are the key properties of 8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde?
8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde has a molecular weight of 274.75 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde is sourced from PubChem (CID 20983112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).