3-Methoxypiperidine

C6H13NOCAS 4045-29-8115.18 g/mol

Open in Covalent MOL file
ONH
EtherSecondary amine

Properties

Molecular formula
C6H13NO
Molar mass
115.18 g/mol
Exact mass
115.0997 Da
Boiling point
159–160 °C (at 748 Torr)
logP
0.38Crippen estimate
Polar surface area
21.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, P405, P501

Identifiers

CAS number
4045-29-8
SMILES
COC1CCCNC1
InChIKey
MRWRHHSVHWCISU-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO/c1-8-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Piperidine, 3-methoxy-

Work with 3-Methoxypiperidine

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

(3R)-3-Methoxypyrrolidine hydrochloride474707-30-765 % similar (S)-3-Methoxy-pyrrolidine hydrochloride685828-16-465 % similar 3-Methoxy-azetidine110925-17-257 % similar Cyclopentyl methyl ether5614-37-952 % similar 4-Methoxypiperidine4045-24-352 % similar 3-Methoxyazetidine hydrochloride148644-09-150 % similar 4-Methoxypiperidine hydrochloride4045-25-446 % similar 3-Methylpiperidine626-56-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethylmorpholine100-74-3 [1-Aminocyclopentyl]methanol10316-79-7 4-Hydroxy-1-methylpiperidine106-52-5 4-Aminomethyltetrahydropyran130290-79-8 1-Propylazetidin-3-ol1340301-52-1 2,6-Dimethylmorpholine141-91-3 (3S)-Piperidin-3-ylmethanol144539-77-5 2,6-Dimethylmorpholine, (2R,6R)-171753-74-5

Elsewhere

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