4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one

C11H21N3O2 — CID 63594767

IUPAC4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1CC1(O)CCNCC1
InChIInChI=1S/C11H21N3O2/c1-9-10(15)13-6-7-14(9)8-11(16)2-4-12-5-3-11/h9,12,16H,2-8H2,1H3,(H,13,15)
InChIKeyFTYVMQXVKQKOND-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.08
Rot. Bonds2

About 4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one

4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one (PubChem CID 63594767) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one
PubChem CID63594767
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1CC1(O)CCNCC1
InChIInChI=1S/C11H21N3O2/c1-9-10(15)13-6-7-14(9)8-11(16)2-4-12-5-3-11/h9,12,16H,2-8H2,1H3,(H,13,15)
InChIKeyFTYVMQXVKQKOND-UHFFFAOYSA-N
XLogP-1.08
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 109884612
2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 109885110
2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-N-(3-methylbutyl)propanamide
CID 109885283
N-cyclohexyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
CID 109885284
2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-N-pentan-2-ylpropanamide
CID 109885319
2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 109885347
N-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
CID 109885359
N-butan-2-yl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
CID 109885406
2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-N-pentylpropanamide
CID 109885459
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(propan-2-ylamino)ethanone
CID 112737769
N-ethyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
CID 112737938
1-[1-(3,3,3-Trifluoro-2-hydroxy-2-methylpropyl)piperidin-3-yl]piperazin-2-one
CID 132389354

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one (CID 63594767) is 4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1CC1(O)CCNCC1.
What is the InChIKey of 4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one?
The InChIKey is FTYVMQXVKQKOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9-10(15)13-6-7-14(9)8-11(16)2-4-12-5-3-11/h9,12,16H,2-8H2,1H3,(H,13,15).
What are the key properties of 4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one?
4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one has a molecular weight of 227.31 g/mol, XLogP of -1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxypiperidin-4-yl)methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 63594767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).