6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde

C18H21N3O — CID 87790512

IUPAC6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N[C@@]2(Cc3ccccc3)CCCNC2)nc1
InChIInChI=1S/C18H21N3O/c22-13-16-7-8-17(20-12-16)21-18(9-4-10-19-14-18)11-15-5-2-1-3-6-15/h1-3,5-8,12-13,19H,4,9-11,14H2,(H,20,21)/t18-/m1/s1
InChIKeyHVUZWWDZTFLXHS-GOSISDBHSA-N
MW295.39 g/mol
LogP2.67
Rot. Bonds5

About 6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde

6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde (PubChem CID 87790512) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde
PubChem CID87790512
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde
SMILESO=Cc1ccc(N[C@@]2(Cc3ccccc3)CCCNC2)nc1
InChIInChI=1S/C18H21N3O/c22-13-16-7-8-17(20-12-16)21-18(9-4-10-19-14-18)11-15-5-2-1-3-6-15/h1-3,5-8,12-13,19H,4,9-11,14H2,(H,20,21)/t18-/m1/s1
InChIKeyHVUZWWDZTFLXHS-GOSISDBHSA-N
XLogP2.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde?
The IUPAC name of 6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde (CID 87790512) is 6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde is O=Cc1ccc(N[C@@]2(Cc3ccccc3)CCCNC2)nc1.
What is the InChIKey of 6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde?
The InChIKey is HVUZWWDZTFLXHS-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O/c22-13-16-7-8-17(20-12-16)21-18(9-4-10-19-14-18)11-15-5-2-1-3-6-15/h1-3,5-8,12-13,19H,4,9-11,14H2,(H,20,21)/t18-/m1/s1.
What are the key properties of 6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde?
6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde has a molecular weight of 295.39 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-3-benzylpiperidin-3-yl]amino]pyridine-3-carbaldehyde is sourced from PubChem (CID 87790512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).