4-Methoxypiperidine

C6H13NOCAS 4045-24-3115.18 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
61–65 °C (at 11 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 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
4045-24-3
SMILES
COC1CCNCC1
InChIKey
ZEYSHALLPAKUHG-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO/c1-8-6-2-4-7-5-3-6/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, 4-methoxy-

Work with 4-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Methoxypiperidine hydrochloride4045-25-4Salt

Similar compounds

(3R)-3-Methoxypyrrolidine hydrochloride474707-30-763 % similar (S)-3-Methoxy-pyrrolidine hydrochloride685828-16-463 % similar Cyclopentyl methyl ether5614-37-955 % similar 3-Methoxy-azetidine110925-17-252 % similar 3-Methoxypiperidine4045-29-852 % similar 3-Methoxyazetidine hydrochloride148644-09-146 % similar 4-(Methoxymethyl)piperidine399580-55-344 % similar Methyl 4-piperidineacetate168986-49-041 % 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

PubChem CAS Common Chemistry NIST WebBook