3,3-Dimethylpiperidine
Properties
- Molecular formula
- C7H15N
- Molar mass
- 113.20 g/mol
- Exact mass
- 113.1204 Da
- Boiling point
- 137 °C
- logP
- 1.40Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501
Identifiers
CAS number
1193-12-0SMILES
CC1(C)CCCNC1InChIKey
CDODDZJCEADUQQ-UHFFFAOYSA-NInChI
InChI=1S/C7H15N/c1-7(2)4-3-5-8-6-7/h8H,3-6H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Piperidine, 3,3-dimethyl-
Work with 3,3-Dimethylpiperidine
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
1,1-Dimethylcyclohexane590-66-943 % similar
3,3-Difluoropiperidine hydrochloride496807-97-739 % similar
2,2-Dimethylpyrrolidine35018-15-636 % similar
4,4-Dimethyloctane15869-95-135 % similar
2,2-Dimethyl-piperazine84477-72-535 % similar
3,3-Dimethylheptane4032-86-433 % similar
tert-Butyl 2,9-diazaspiro(5.5)undecane-9-carboxylate1023595-19-833 % similar
3,3-Dimethyloctane4110-44-532 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds