4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

C17H28N4O2 — CID 154565026

IUPAC4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(CC(O)C3CCNCC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C17H28N4O2/c1-12-19-15(10-17(23)20-12)13-4-8-21(9-5-13)11-16(22)14-2-6-18-7-3-14/h10,13-14,16,18,22H,2-9,11H2,1H3,(H,19,20,23)
InChIKeyUAIMHDCAFFJDCQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.62
Rot. Bonds4

About 4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 154565026) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID154565026
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(CC(O)C3CCNCC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C17H28N4O2/c1-12-19-15(10-17(23)20-12)13-4-8-21(9-5-13)11-16(22)14-2-6-18-7-3-14/h10,13-14,16,18,22H,2-9,11H2,1H3,(H,19,20,23)
InChIKeyUAIMHDCAFFJDCQ-UHFFFAOYSA-N
XLogP0.62
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 154565026) is 4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C2CCN(CC(O)C3CCNCC3)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UAIMHDCAFFJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12-19-15(10-17(23)20-12)13-4-8-21(9-5-13)11-16(22)14-2-6-18-7-3-14/h10,13-14,16,18,22H,2-9,11H2,1H3,(H,19,20,23).
What are the key properties of 4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 320.44 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-hydroxy-2-piperidin-4-ylethyl)piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 154565026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).