1-(N-Methylpiperidin-3-yl-methyl)piperazine

C11H23N3CAS 496808-03-8197.33 g/mol

Open in Covalent MOL file
NNHN
Secondary amineTertiary amine

Properties

Molecular formula
C11H23N3
Molar mass
197.33 g/mol
Exact mass
197.1892 Da
logP
0.23Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
496808-03-8
SMILES
CN1CCCC(C1)CN2CCNCC2
InChIKey
JNRZWBOVQVAUTC-UHFFFAOYSA-N
InChI
InChI=1S/C11H23N3/c1-13-6-2-3-11(9-13)10-14-7-4-12-5-8-14/h11-12H,2-10H2,1H3

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Names and synonyms

1 names
  • 1-[(1-Methylpiperidin-3-yl)methyl]piperazine

Work with 1-(N-Methylpiperidin-3-yl-methyl)piperazine

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

1-(Cyclohexylmethyl)piperazine57184-23-360 % similar (1-Methylpiperidin-3-yl)methanamine14613-37-752 % similar 1-Methyl-3-piperidinemethanol7583-53-152 % similar 1-Methylhomopiperazine4318-37-045 % similar N-Isobutyl piperazine5308-28-144 % similar Methylpiperazine109-01-341 % similar 1-(1-Methyl-4-piperidinyl)piperazine23995-88-241 % similar 3-Hydroxy-1-methylpiperidine3554-74-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Piperidinoethyl)piperazine22763-65-1

Elsewhere

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