(Hexahydro-1H-azepin-1-yl)-3-piperidinylmethanone

C12H22N2OCAS 690632-28-1210.32 g/mol

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ONHN
AmideSecondary amine

Properties

Molecular formula
C12H22N2O
Molar mass
210.32 g/mol
Exact mass
210.1732 Da
logP
1.39Crippen estimate
Polar surface area
32.3 Ų
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.

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Identifiers

CAS number
690632-28-1
SMILES
O=C(C1CCCNC1)N1CCCCCC1
InChIKey
RXLCUJOYUJWMPG-UHFFFAOYSA-N
InChI
InChI=1S/C12H22N2O/c15-12(11-6-5-7-13-10-11)14-8-3-1-2-4-9-14/h11,13H,1-10H2

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Names and synonyms

4 names
  • Methanone, (hexahydro-1H-azepin-1-yl)-3-piperidinyl-
  • 1H-Azepine, hexahydro-1-(3-piperidinylcarbonyl)-
  • 1-Azepanyl(3-piperidinyl)methanone
  • 1-(Piperidine-3-carbonyl)azepane

Work with (Hexahydro-1H-azepin-1-yl)-3-piperidinylmethanone

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

Piperidin-4-yl(pyrrolidin-1-yl)methanone35090-95-063 % similar (-)-Nipecotic acid25137-00-249 % similar Nipecotic acid498-95-349 % similar (S)-(+)-Nipecotic acid59045-82-849 % similar Nipecotic acid60252-41-749 % similar 1-(Cyclopropylcarbonyl)piperazine Hydrochloride1021298-67-847 % similar Methyl (3R)-3-piperidinecarboxylate164323-85-745 % similar Methyl piperidine-3-carboxylate50585-89-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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