2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde

C12H16N2O — CID 89110178

IUPAC2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde
SMILESN[C@@H]1CCCN(c2ccccc2C=O)C1
InChIInChI=1S/C12H16N2O/c13-11-5-3-7-14(8-11)12-6-2-1-4-10(12)9-15/h1-2,4,6,9,11H,3,5,7-8,13H2/t11-/m1/s1
InChIKeyPXFFKCMQWSJOTE-LLVKDONJSA-N
MW204.27 g/mol
LogP1.43
Rot. Bonds2

About 2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde

2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde (PubChem CID 89110178) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde
PubChem CID89110178
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde
SMILESN[C@@H]1CCCN(c2ccccc2C=O)C1
InChIInChI=1S/C12H16N2O/c13-11-5-3-7-14(8-11)12-6-2-1-4-10(12)9-15/h1-2,4,6,9,11H,3,5,7-8,13H2/t11-/m1/s1
InChIKeyPXFFKCMQWSJOTE-LLVKDONJSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.43
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 2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde (CID 89110178) is 2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde is N[C@@H]1CCCN(c2ccccc2C=O)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde?
The InChIKey is PXFFKCMQWSJOTE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-5-3-7-14(8-11)12-6-2-1-4-10(12)9-15/h1-2,4,6,9,11H,3,5,7-8,13H2/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde?
2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde has a molecular weight of 204.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]benzaldehyde is sourced from PubChem (CID 89110178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).