2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde

C12H18N4O — CID 105494791

IUPAC2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCNCC1)CCNC2
InChIInChI=1S/C12H18N4O/c17-8-12-10-7-14-6-3-11(10)15-16(12)9-1-4-13-5-2-9/h8-9,13-14H,1-7H2
InChIKeyUXWUKJIEODELKU-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.27
Rot. Bonds2

About 2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde

2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde (PubChem CID 105494791) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
PubChem CID105494791
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
SMILESO=Cc1c2c(nn1C1CCNCC1)CCNC2
InChIInChI=1S/C12H18N4O/c17-8-12-10-7-14-6-3-11(10)15-16(12)9-1-4-13-5-2-9/h8-9,13-14H,1-7H2
InChIKeyUXWUKJIEODELKU-UHFFFAOYSA-N
XLogP0.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105496416
2-cyclobutyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105456399
2-cyclohexyl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105491752
2-(oxan-4-yl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105497694
2-pyrrolidin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105460873
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105462104
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105479436
1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105493367
2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105498171
2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105475688
3-cyclohexyl-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587575
1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
CID 105499492

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?
The IUPAC name of 2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde (CID 105494791) is 2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?
The canonical SMILES for 2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde is O=Cc1c2c(nn1C1CCNCC1)CCNC2.
What is the InChIKey of 2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?
The InChIKey is UXWUKJIEODELKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-8-12-10-7-14-6-3-11(10)15-16(12)9-1-4-13-5-2-9/h8-9,13-14H,1-7H2.
What are the key properties of 2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde?
2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 105494791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).