[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

C20H25N3O2 — CID 70732860

IUPAC[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2ncccc2O)cc1
InChIInChI=1S/C20H25N3O2/c1-22(2)14-15-8-10-16(11-9-15)17-6-3-4-13-23(17)20(25)19-18(24)7-5-12-21-19/h5,7-12,17,24H,3-4,6,13-14H2,1-2H3
InChIKeyYOEHOFQNIGAAEZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.22
Rot. Bonds4

About [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone

[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 70732860) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
PubChem CID70732860
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
SMILESCN(C)Cc1ccc(C2CCCCN2C(=O)c2ncccc2O)cc1
InChIInChI=1S/C20H25N3O2/c1-22(2)14-15-8-10-16(11-9-15)17-6-3-4-13-23(17)20(25)19-18(24)7-5-12-21-19/h5,7-12,17,24H,3-4,6,13-14H2,1-2H3
InChIKeyYOEHOFQNIGAAEZ-UHFFFAOYSA-N
XLogP3.22
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
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]-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone (CID 70732860) is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone is CN(C)Cc1ccc(C2CCCCN2C(=O)c2ncccc2O)cc1.
What is the InChIKey of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is YOEHOFQNIGAAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-22(2)14-15-8-10-16(11-9-15)17-6-3-4-13-23(17)20(25)19-18(24)7-5-12-21-19/h5,7-12,17,24H,3-4,6,13-14H2,1-2H3.
What are the key properties of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone?
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 339.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 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]-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 70732860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).