(2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone

C13H25N3O — CID 114085731

IUPAC(2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
SMILESCC1CCCNC1C(=O)N1CCN(C)CC1C
InChIInChI=1S/C13H25N3O/c1-10-5-4-6-14-12(10)13(17)16-8-7-15(3)9-11(16)2/h10-12,14H,4-9H2,1-3H3
InChIKeyADQPAUQCKIVPDT-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.54
Rot. Bonds1

About (2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone

(2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone (PubChem CID 114085731) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
PubChem CID114085731
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone
SMILESCC1CCCNC1C(=O)N1CCN(C)CC1C
InChIInChI=1S/C13H25N3O/c1-10-5-4-6-14-12(10)13(17)16-8-7-15(3)9-11(16)2/h10-12,14H,4-9H2,1-3H3
InChIKeyADQPAUQCKIVPDT-UHFFFAOYSA-N
XLogP0.54
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone?
The IUPAC name of (2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone (CID 114085731) is (2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone?
The canonical SMILES for (2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone is CC1CCCNC1C(=O)N1CCN(C)CC1C.
What is the InChIKey of (2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone?
The InChIKey is ADQPAUQCKIVPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10-5-4-6-14-12(10)13(17)16-8-7-15(3)9-11(16)2/h10-12,14H,4-9H2,1-3H3.
What are the key properties of (2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone?
(2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperazin-1-yl)-(3-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 114085731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).