6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde

C14H21N3O — CID 80637820

IUPAC6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1CCC(N(C)C)CC1
InChIInChI=1S/C14H21N3O/c1-11-8-12(10-18)9-15-14(11)17-6-4-13(5-7-17)16(2)3/h8-10,13H,4-7H2,1-3H3
InChIKeyFKUYTCFYCPERCV-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.73
Rot. Bonds3

About 6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde

6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde (PubChem CID 80637820) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
PubChem CID80637820
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde
SMILESCc1cc(C=O)cnc1N1CCC(N(C)C)CC1
InChIInChI=1S/C14H21N3O/c1-11-8-12(10-18)9-15-14(11)17-6-4-13(5-7-17)16(2)3/h8-10,13H,4-7H2,1-3H3
InChIKeyFKUYTCFYCPERCV-UHFFFAOYSA-N
XLogP1.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
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-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde (CID 80637820) is 6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde is Cc1cc(C=O)cnc1N1CCC(N(C)C)CC1.
What is the InChIKey of 6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde?
The InChIKey is FKUYTCFYCPERCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-8-12(10-18)9-15-14(11)17-6-4-13(5-7-17)16(2)3/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde?
6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde has a molecular weight of 247.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)piperidin-1-yl]-5-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 80637820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).