1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone

C12H22N2O — CID 63913213

IUPAC1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(CC(=O)C2CC2)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)14-7-5-13(6-8-14)9-12(15)11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyCNNBPBUQHIDEPP-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds4

About 1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone

1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 63913213) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID63913213
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCC(C)N1CCN(CC(=O)C2CC2)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)14-7-5-13(6-8-14)9-12(15)11-3-4-11/h10-11H,3-9H2,1-2H3
InChIKeyCNNBPBUQHIDEPP-UHFFFAOYSA-N
XLogP0.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 63913213) is 1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone is CC(C)N1CCN(CC(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is CNNBPBUQHIDEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)14-7-5-13(6-8-14)9-12(15)11-3-4-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 210.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63913213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).