4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde

C9H18N2O — CID 89260021

IUPAC4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde
SMILESCC[C@@H](C)N1CCN(C=O)CC1
InChIInChI=1S/C9H18N2O/c1-3-9(2)11-6-4-10(8-12)5-7-11/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyVRBXPLOTVNRRKO-SECBINFHSA-N
MW170.26 g/mol
LogP0.56
Rot. Bonds3

About 4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde

4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde (PubChem CID 89260021) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde
PubChem CID89260021
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde
SMILESCC[C@@H](C)N1CCN(C=O)CC1
InChIInChI=1S/C9H18N2O/c1-3-9(2)11-6-4-10(8-12)5-7-11/h8-9H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyVRBXPLOTVNRRKO-SECBINFHSA-N
XLogP0.56
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
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 4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde (CID 89260021) is 4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde is CC[C@@H](C)N1CCN(C=O)CC1.
What is the InChIKey of 4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde?
The InChIKey is VRBXPLOTVNRRKO-SECBINFHSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-9(2)11-6-4-10(8-12)5-7-11/h8-9H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde?
4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde has a molecular weight of 170.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]piperazine-1-carbaldehyde is sourced from PubChem (CID 89260021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).