4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde

C15H22N4O — CID 142272690

IUPAC4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C15H22N4O/c20-13-17-7-4-14(5-8-17)18-9-11-19(12-10-18)15-3-1-2-6-16-15/h1-3,6,13-14H,4-5,7-12H2
InChIKeyISRCVRBXRDDRGT-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.82
Rot. Bonds3

About 4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde

4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde (PubChem CID 142272690) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
PubChem CID142272690
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(N2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C15H22N4O/c20-13-17-7-4-14(5-8-17)18-9-11-19(12-10-18)15-3-1-2-6-16-15/h1-3,6,13-14H,4-5,7-12H2
InChIKeyISRCVRBXRDDRGT-UHFFFAOYSA-N
XLogP0.82
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.82
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

3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
4-pyridin-2-ylpiperazine-1-carbaldehyde;hydrochloride
CID 135186029
4-(4-pyridin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 15045421
ethane;2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine
CID 143719277
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
CID 10979611
3-(4-pyridin-2-ylpiperazin-1-yl)azepane
CID 62642071
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363
2-(4-pyridin-2-ylpiperazin-1-yl)cyclopentan-1-amine
CID 60725656
1-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]sulfonylazepane
CID 126893450
1-pyridin-2-yl-4-[(1S)-4-pyridin-2-ylcyclohex-3-en-1-yl]piperazine
CID 102070099
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde (CID 142272690) is 4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde is O=CN1CCC(N2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde?
The InChIKey is ISRCVRBXRDDRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-13-17-7-4-14(5-8-17)18-9-11-19(12-10-18)15-3-1-2-6-16-15/h1-3,6,13-14H,4-5,7-12H2.
What are the key properties of 4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde?
4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde has a molecular weight of 274.37 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-2-ylpiperazin-1-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 142272690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).