[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone

C19H24N4O — CID 70758193

IUPAC[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2cccnn2)cc1
InChIInChI=1S/C19H24N4O/c1-22(2)14-15-8-10-16(11-9-15)18-7-3-4-13-23(18)19(24)17-6-5-12-20-21-17/h5-6,8-12,18H,3-4,7,13-14H2,1-2H3
InChIKeyVJOQPECBXHEPAG-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.91
Rot. Bonds4

About [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone

[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone (PubChem CID 70758193) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone.

Molecular Properties

Compound Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone
PubChem CID70758193
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2cccnn2)cc1
InChIInChI=1S/C19H24N4O/c1-22(2)14-15-8-10-16(11-9-15)18-7-3-4-13-23(18)19(24)17-6-5-12-20-21-17/h5-6,8-12,18H,3-4,7,13-14H2,1-2H3
InChIKeyVJOQPECBXHEPAG-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone?
The IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone (CID 70758193) is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone.
What is the SMILES notation for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone?
The canonical SMILES for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone is CN(C)Cc1ccc(C2CCCCN2C(=O)c2cccnn2)cc1.
What is the InChIKey of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone?
The InChIKey is VJOQPECBXHEPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-22(2)14-15-8-10-16(11-9-15)18-7-3-4-13-23(18)19(24)17-6-5-12-20-21-17/h5-6,8-12,18H,3-4,7,13-14H2,1-2H3.
What are the key properties of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone?
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone has a molecular weight of 324.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-pyridazin-3-ylmethanone is sourced from PubChem (CID 70758193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).