(3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde

C12H14N2O — CID 175378796

IUPAC(3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde
SMILESO=CC1NCCC/C1=C\c1ccccn1
InChIInChI=1S/C12H14N2O/c15-9-12-10(4-3-7-14-12)8-11-5-1-2-6-13-11/h1-2,5-6,8-9,12,14H,3-4,7H2/b10-8+
InChIKeyLORNUPAPBDXLAV-CSKARUKUSA-N
MW202.26 g/mol
LogP1.42
Rot. Bonds2

About (3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde

(3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde (PubChem CID 175378796) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is (3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name(3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde
PubChem CID175378796
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name(3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde
SMILESO=CC1NCCC/C1=C\c1ccccn1
InChIInChI=1S/C12H14N2O/c15-9-12-10(4-3-7-14-12)8-11-5-1-2-6-13-11/h1-2,5-6,8-9,12,14H,3-4,7H2/b10-8+
InChIKeyLORNUPAPBDXLAV-CSKARUKUSA-N
XLogP1.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde?
The IUPAC name of (3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde (CID 175378796) is (3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde.
What is the SMILES notation for (3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde?
The canonical SMILES for (3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde is O=CC1NCCC/C1=C\c1ccccn1.
What is the InChIKey of (3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde?
The InChIKey is LORNUPAPBDXLAV-CSKARUKUSA-N. The full InChI is InChI=1S/C12H14N2O/c15-9-12-10(4-3-7-14-12)8-11-5-1-2-6-13-11/h1-2,5-6,8-9,12,14H,3-4,7H2/b10-8+.
What are the key properties of (3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde?
(3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde has a molecular weight of 202.26 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde is sourced from PubChem (CID 175378796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).