6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde

C16H17N3O — CID 80638888

IUPAC6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C16H17N3O/c20-13-14-6-7-16(17-12-14)19-10-8-18(9-11-19)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2
InChIKeyNWKDWJMINJILBV-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.22
Rot. Bonds3

About 6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde

6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde (PubChem CID 80638888) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde
PubChem CID80638888
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C16H17N3O/c20-13-14-6-7-16(17-12-14)19-10-8-18(9-11-19)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2
InChIKeyNWKDWJMINJILBV-UHFFFAOYSA-N
XLogP2.22
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 23432931
6-(1,4-thiazepan-4-yl)pyridine-3-carbaldehyde
CID 80638677
1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 155403124
6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 165460442
6-(4-propylpiperidin-1-yl)pyridine-3-carbaldehyde
CID 80632070
3-fluoro-5-(4-phenylpiperazin-1-yl)benzaldehyde
CID 106529031
4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde
CID 87286041
6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-3-carbaldehyde
CID 80631815
6-(4-ethoxypiperidin-1-yl)pyridine-3-carbaldehyde
CID 80638673
tert-butyl 4-(5-formyl-2-pyridinyl)piperazine-1-carboxylate;hydrochloride
CID 175531305
3-fluoro-5-(4-pyridin-2-ylpiperazin-1-yl)benzaldehyde
CID 106529038
1-(5-formyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 80637486

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde (CID 80638888) is 6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde is O=Cc1ccc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde?
The InChIKey is NWKDWJMINJILBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-13-14-6-7-16(17-12-14)19-10-8-18(9-11-19)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2.
What are the key properties of 6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde?
6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde has a molecular weight of 267.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 80638888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).