6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde

C16H19N2O+ — CID 7460194

IUPAC6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde
SMILESCc1ccc2[nH+]c(N3CCCCC3)c(C=O)cc2c1
InChIInChI=1S/C16H18N2O/c1-12-5-6-15-13(9-12)10-14(11-19)16(17-15)18-7-3-2-4-8-18/h5-6,9-11H,2-4,7-8H2,1H3/p+1
InChIKeyYAEQGGDZBGQLBK-UHFFFAOYSA-O
MW255.34 g/mol
LogP2.77
Rot. Bonds2

About 6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde

6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde (PubChem CID 7460194) has the molecular formula C16H19N2O+ and a molecular weight of 255.34 g/mol. Its IUPAC name is 6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde
PubChem CID7460194
Molecular FormulaC16H19N2O+
Molecular Weight255.34 g/mol
Exact Mass255.15
IUPAC Name6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde
SMILESCc1ccc2[nH+]c(N3CCCCC3)c(C=O)cc2c1
InChIInChI=1S/C16H18N2O/c1-12-5-6-15-13(9-12)10-14(11-19)16(17-15)18-7-3-2-4-8-18/h5-6,9-11H,2-4,7-8H2,1H3/p+1
InChIKeyYAEQGGDZBGQLBK-UHFFFAOYSA-O
XLogP2.77
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-piperidin-1-ylpyridin-1-ium-3,5-dicarbaldehyde
CID 6946907
N-[(2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]hydroxylamine
CID 135743752
1-(2-ethyl-4-methylphenyl)piperidine
CID 90278771
7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983139
3-(5-methyl-2-piperidin-1-ylphenyl)propanal
CID 117335122
2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 958834
1-(2-ethyl-5-methylphenyl)pyrrolidine
CID 89060262
2,3-dimethyl-4-pyrrolidin-1-ylbenzaldehyde
CID 6500386
1-(4-methyl-2-methylsulfonylphenyl)pyrrolidine
CID 168515392
4-methyl-2-piperidin-1-ylbenzoic acid
CID 62710167
7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 857615
6-methyl-2,4-di(piperidin-1-yl)quinoline
CID 14338122

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde?
The IUPAC name of 6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde (CID 7460194) is 6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde.
What is the SMILES notation for 6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde?
The canonical SMILES for 6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde is Cc1ccc2[nH+]c(N3CCCCC3)c(C=O)cc2c1.
What is the InChIKey of 6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde?
The InChIKey is YAEQGGDZBGQLBK-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18N2O/c1-12-5-6-15-13(9-12)10-14(11-19)16(17-15)18-7-3-2-4-8-18/h5-6,9-11H,2-4,7-8H2,1H3/p+1.
What are the key properties of 6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde?
6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde has a molecular weight of 255.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperidin-1-ylquinolin-1-ium-3-carbaldehyde is sourced from PubChem (CID 7460194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).