4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile

C19H25N3O — CID 143766522

IUPAC4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile
SMILESN#Cc1cccc(C2CC2)c1.O=CN1CCN(C2CCC2)CC1
InChIInChI=1S/C10H9N.C9H16N2O/c11-7-8-2-1-3-10(6-8)9-4-5-9;12-8-10-4-6-11(7-5-10)9-2-1-3-9/h1-3,6,9H,4-5H2;8-9H,1-7H2
InChIKeyDLMAXFJLOGGVFH-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.75
Rot. Bonds3

About 4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile

4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile (PubChem CID 143766522) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile.

Molecular Properties

Compound Name4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile
PubChem CID143766522
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile
SMILESN#Cc1cccc(C2CC2)c1.O=CN1CCN(C2CCC2)CC1
InChIInChI=1S/C10H9N.C9H16N2O/c11-7-8-2-1-3-10(6-8)9-4-5-9;12-8-10-4-6-11(7-5-10)9-2-1-3-9/h1-3,6,9H,4-5H2;8-9H,1-7H2
InChIKeyDLMAXFJLOGGVFH-UHFFFAOYSA-N
XLogP2.75
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.75
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-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile?
The IUPAC name of 4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile (CID 143766522) is 4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile.
What is the SMILES notation for 4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile?
The canonical SMILES for 4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile is N#Cc1cccc(C2CC2)c1.O=CN1CCN(C2CCC2)CC1.
What is the InChIKey of 4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile?
The InChIKey is DLMAXFJLOGGVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C9H16N2O/c11-7-8-2-1-3-10(6-8)9-4-5-9;12-8-10-4-6-11(7-5-10)9-2-1-3-9/h1-3,6,9H,4-5H2;8-9H,1-7H2.
What are the key properties of 4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile?
4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile has a molecular weight of 311.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutylpiperazine-1-carbaldehyde;3-cyclopropylbenzonitrile is sourced from PubChem (CID 143766522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).