1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one

C12H23N3O — CID 63898397

IUPAC1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one
SMILESCN1CCN(C)C(CN2CCC(=O)CC2)C1
InChIInChI=1S/C12H23N3O/c1-13-7-8-14(2)11(9-13)10-15-5-3-12(16)4-6-15/h11H,3-10H2,1-2H3
InChIKeyRVYXVCYPBMAPDC-UHFFFAOYSA-N
MW225.34 g/mol
LogP-0.10
Rot. Bonds2

About 1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one

1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one (PubChem CID 63898397) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one
PubChem CID63898397
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one
SMILESCN1CCN(C)C(CN2CCC(=O)CC2)C1
InChIInChI=1S/C12H23N3O/c1-13-7-8-14(2)11(9-13)10-15-5-3-12(16)4-6-15/h11H,3-10H2,1-2H3
InChIKeyRVYXVCYPBMAPDC-UHFFFAOYSA-N
XLogP-0.10
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one (CID 63898397) is 1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one is CN1CCN(C)C(CN2CCC(=O)CC2)C1.
What is the InChIKey of 1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one?
The InChIKey is RVYXVCYPBMAPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-13-7-8-14(2)11(9-13)10-15-5-3-12(16)4-6-15/h11H,3-10H2,1-2H3.
What are the key properties of 1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one?
1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one has a molecular weight of 225.34 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one is sourced from PubChem (CID 63898397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).