1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one

C15H26N4O2 — CID 56881865

IUPAC1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
SMILESCN(C)CC1(O)CCCN(C(=O)CCCc2cn[nH]c2)C1
InChIInChI=1S/C15H26N4O2/c1-18(2)11-15(21)7-4-8-19(12-15)14(20)6-3-5-13-9-16-17-10-13/h9-10,21H,3-8,11-12H2,1-2H3,(H,16,17)
InChIKeyCJHFZASIJJXOLS-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.65
Rot. Bonds6

About 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one

1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one (PubChem CID 56881865) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
PubChem CID56881865
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
SMILESCN(C)CC1(O)CCCN(C(=O)CCCc2cn[nH]c2)C1
InChIInChI=1S/C15H26N4O2/c1-18(2)11-15(21)7-4-8-19(12-15)14(20)6-3-5-13-9-16-17-10-13/h9-10,21H,3-8,11-12H2,1-2H3,(H,16,17)
InChIKeyCJHFZASIJJXOLS-UHFFFAOYSA-N
XLogP0.65
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one (CID 56881865) is 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one is CN(C)CC1(O)CCCN(C(=O)CCCc2cn[nH]c2)C1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The InChIKey is CJHFZASIJJXOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-18(2)11-15(21)7-4-8-19(12-15)14(20)6-3-5-13-9-16-17-10-13/h9-10,21H,3-8,11-12H2,1-2H3,(H,16,17).
What are the key properties of 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one has a molecular weight of 294.40 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one is sourced from PubChem (CID 56881865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).