2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde

C11H16N2O — CID 90095645

IUPAC2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde
SMILESO=CC(c1ccc[nH]1)N1CCCCC1
InChIInChI=1S/C11H16N2O/c14-9-11(10-5-4-6-12-10)13-7-2-1-3-8-13/h4-6,9,11-12H,1-3,7-8H2
InChIKeyVTFRQZSTSHUQHS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.74
Rot. Bonds3

About 2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde

2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde (PubChem CID 90095645) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde
PubChem CID90095645
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde
SMILESO=CC(c1ccc[nH]1)N1CCCCC1
InChIInChI=1S/C11H16N2O/c14-9-11(10-5-4-6-12-10)13-7-2-1-3-8-13/h4-6,9,11-12H,1-3,7-8H2
InChIKeyVTFRQZSTSHUQHS-UHFFFAOYSA-N
XLogP1.74
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde?
The IUPAC name of 2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde (CID 90095645) is 2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde.
What is the SMILES notation for 2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde?
The canonical SMILES for 2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde is O=CC(c1ccc[nH]1)N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde?
The InChIKey is VTFRQZSTSHUQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-9-11(10-5-4-6-12-10)13-7-2-1-3-8-13/h4-6,9,11-12H,1-3,7-8H2.
What are the key properties of 2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde?
2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde has a molecular weight of 192.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-2-(1H-pyrrol-2-yl)acetaldehyde is sourced from PubChem (CID 90095645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).