2-cyclopropylpiperazine-1-carbaldehyde

C8H14N2O — CID 87187769

IUPAC2-cyclopropylpiperazine-1-carbaldehyde
SMILESO=CN1CCNCC1C1CC1
InChIInChI=1S/C8H14N2O/c11-6-10-4-3-9-5-8(10)7-1-2-7/h6-9H,1-5H2
InChIKeyLPQSSRDBVDFATO-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.17
Rot. Bonds2

About 2-cyclopropylpiperazine-1-carbaldehyde

2-cyclopropylpiperazine-1-carbaldehyde (PubChem CID 87187769) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-cyclopropylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name2-cyclopropylpiperazine-1-carbaldehyde
PubChem CID87187769
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-cyclopropylpiperazine-1-carbaldehyde
SMILESO=CN1CCNCC1C1CC1
InChIInChI=1S/C8H14N2O/c11-6-10-4-3-9-5-8(10)7-1-2-7/h6-9H,1-5H2
InChIKeyLPQSSRDBVDFATO-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylpiperazine-1-carbaldehyde?
The IUPAC name of 2-cyclopropylpiperazine-1-carbaldehyde (CID 87187769) is 2-cyclopropylpiperazine-1-carbaldehyde.
What is the SMILES notation for 2-cyclopropylpiperazine-1-carbaldehyde?
The canonical SMILES for 2-cyclopropylpiperazine-1-carbaldehyde is O=CN1CCNCC1C1CC1.
What is the InChIKey of 2-cyclopropylpiperazine-1-carbaldehyde?
The InChIKey is LPQSSRDBVDFATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c11-6-10-4-3-9-5-8(10)7-1-2-7/h6-9H,1-5H2.
What are the key properties of 2-cyclopropylpiperazine-1-carbaldehyde?
2-cyclopropylpiperazine-1-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylpiperazine-1-carbaldehyde is sourced from PubChem (CID 87187769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).