4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one

C11H21N3O2 — CID 64693846

IUPAC4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CC2(O)CCNCC2)CC1=O
InChIInChI=1S/C11H21N3O2/c1-13-6-7-14(8-10(13)15)9-11(16)2-4-12-5-3-11/h12,16H,2-9H2,1H3
InChIKeyUOVIGZGWUMSUCM-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.13
Rot. Bonds2

About 4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one

4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one (PubChem CID 64693846) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one
PubChem CID64693846
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one
SMILESCN1CCN(CC2(O)CCNCC2)CC1=O
InChIInChI=1S/C11H21N3O2/c1-13-6-7-14(8-10(13)15)9-11(16)2-4-12-5-3-11/h12,16H,2-9H2,1H3
InChIKeyUOVIGZGWUMSUCM-UHFFFAOYSA-N
XLogP-1.13
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one (CID 64693846) is 4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one is CN1CCN(CC2(O)CCNCC2)CC1=O.
What is the InChIKey of 4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one?
The InChIKey is UOVIGZGWUMSUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13-6-7-14(8-10(13)15)9-11(16)2-4-12-5-3-11/h12,16H,2-9H2,1H3.
What are the key properties of 4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one?
4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one has a molecular weight of 227.31 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxypiperidin-4-yl)methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 64693846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).