1-Formylhomopiperazine

C₆H₁₂N₂OCAS 29053-62-1128.18 g/mol

Open in Covalent MOL file

Amide Secondary amine

Properties

Molecular formula: C₆H₁₂N₂O
Molar mass: 128.18 g/mol
Exact mass: 128.0950 Da
logP: -0.56Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

29053-62-1

SMILES

C1CNCCN(C1)C=O

InChIKey

RNNVQNMOFQXXTH-UHFFFAOYSA-N

InChI

InChI=1S/C6H12N2O/c9-6-8-4-1-2-7-3-5-8/h6-7H,1-5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1,4-Diazepane-1-carbaldehyde

Work with 1-Formylhomopiperazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Piperazinecarboxaldehyde7755-92-281 % similar 1-Pyrrolidinecarboxaldehyde3760-54-159 % similar N-Formylpiperidine2591-86-857 % similar 1,4-Piperazinedicarboxaldehyde4164-39-050 % similar N,N-Dibutylformamide761-65-948 % similar N-Formylmorpholine4394-85-841 % similar 1-Methylhomopiperazine4318-37-039 % similar 3,3′-Iminobis(N,N-dimethylpropylamine)6711-48-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(5S)-1,5-Dimethylpiperazin-2-one1068149-94-9 (S)-(-)-3-Acetamidopyrrolidine114636-31-6 (3R)-(+)-3-Acetamidopyrrolidine131900-62-4 1-Acetylpiperazine13889-98-0 1-Aminocyclopentanecarboxamide17193-28-1 3-Aminoazepan-2-one17929-90-7 Pipecolamide19889-77-1 L-2-Aminohexano-6-lactam21568-87-6

Elsewhere

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