(2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone

C12H22N2O — CID 104872314

IUPAC(2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2CC2(C)C)CC(C)N1
InChIInChI=1S/C12H22N2O/c1-8-6-14(7-9(2)13-8)11(15)10-5-12(10,3)4/h8-10,13H,5-7H2,1-4H3
InChIKeyUWQQKBOMKCMWOO-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds1

About (2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone

(2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone (PubChem CID 104872314) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone
PubChem CID104872314
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2CC2(C)C)CC(C)N1
InChIInChI=1S/C12H22N2O/c1-8-6-14(7-9(2)13-8)11(15)10-5-12(10,3)4/h8-10,13H,5-7H2,1-4H3
InChIKeyUWQQKBOMKCMWOO-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone (CID 104872314) is (2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)C2CC2(C)C)CC(C)N1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is UWQQKBOMKCMWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-8-6-14(7-9(2)13-8)11(15)10-5-12(10,3)4/h8-10,13H,5-7H2,1-4H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone?
(2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 210.32 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(3,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 104872314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).