4,4′-Trimethylenedipiperidine
Properties
- Molecular formula
- C13H26N2
- Molar mass
- 210.36 g/mol
- Exact mass
- 210.2096 Da
- Melting point
- 67.1 °C
- Boiling point
- 329 °C
- logP
- 2.16Crippen estimate
- Polar surface area
- 24.1 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 4
Hazards
Danger
- H302 Harmful if swallowed42% of notifiers
- H314 Causes severe skin burns and eye damage14.5% of notifiers
- H315 Causes skin irritation85.5% of notifiers
- H318 Causes serious eye damage21.7% of notifiers
- H319 Causes serious eye irritation78.3% of notifiers
- H335 May cause respiratory irritation81.2% of notifiers
- H412 Harmful to aquatic life with long lasting effects14.5% of notifiers
Aggregated from 69 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
16898-52-5SMILES
C(CC1CCNCC1)CC1CCNCC1InChIKey
OXEZLYIDQPBCBB-UHFFFAOYSA-NInChI
InChI=1S/C13H26N2/c1(2-12-4-8-14-9-5-12)3-13-6-10-15-11-7-13/h12-15H,1-11H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Piperidine, 4,4′-(1,3-propanediyl)bis-
- Piperidine, 4,4′-trimethylenedi-
- 4,4′-(1,3-Propanediyl)bis[piperidine]
- DI-PIP
- 1,3-Bis(4-piperidyl)propane
- 4,4′-(1,3-Propanediyl)bispiperidine
- 1,3-Di-4-piperidylpropane
- 4,4′-Trimethylenepiperidine
- NSC 96364
- 1,3-Bis(4-piperidinyl)propane
Work with 4,4′-Trimethylenedipiperidine
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
4-Piperidinepropanol7037-49-265 % similar
4-Propylpiperidine22398-09-055 % similar
4-Piperidineethanol622-26-455 % similar
4-(3-Phenylpropyl)piperidine18495-82-454 % similar
4-Piperidinemethanol6457-49-450 % similar
4-(Aminomethyl)piperidine7144-05-050 % similar
Azetidine503-29-747 % similar
1,4,8,12-Tetraazacyclopentadecane15439-16-444 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.