4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde

C10H18N2O2 — CID 15718281

IUPAC4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde
SMILESCC(C)(C=O)CN1CCN(C=O)CC1
InChIInChI=1S/C10H18N2O2/c1-10(2,8-13)7-11-3-5-12(9-14)6-4-11/h8-9H,3-7H2,1-2H3
InChIKeyGFWBFEBEDZERNW-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.01
Rot. Bonds4

About 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde

4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde (PubChem CID 15718281) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde
PubChem CID15718281
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde
SMILESCC(C)(C=O)CN1CCN(C=O)CC1
InChIInChI=1S/C10H18N2O2/c1-10(2,8-13)7-11-3-5-12(9-14)6-4-11/h8-9H,3-7H2,1-2H3
InChIKeyGFWBFEBEDZERNW-UHFFFAOYSA-N
XLogP-0.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde (CID 15718281) is 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde is CC(C)(C=O)CN1CCN(C=O)CC1.
What is the InChIKey of 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde?
The InChIKey is GFWBFEBEDZERNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,8-13)7-11-3-5-12(9-14)6-4-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde?
4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde has a molecular weight of 198.27 g/mol, XLogP of -0.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3-oxopropyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 15718281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).