1-Benzylpiperidin-4-amine dihydrochloride

C₁₂H₂₀Cl₂N₂CAS 1205-72-7263.21 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₂₀Cl₂N₂
Molar mass: 263.21 g/mol
Exact mass: 262.1004 Da
Melting point: 275 °C
logP: 2.45Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1205-72-7

SMILES

Cl.Cl.NC1CCN(Cc2ccccc2)CC1

InChIKey

RDEUNWFXSVDHCI-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2.2ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12H,6-10,13H2;2*1H

Weigh it out

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

Names and synonyms

5 names

4-Piperidinamine, 1-(phenylmethyl)-, hydrochloride (1:2)
Piperidine, 4-amino-1-benzyl-, dihydrochloride
4-Piperidinamine, 1-(phenylmethyl)-, dihydrochloride
4-Amino-1-benzylpiperidine dihydrochloride
1-Benzyl-4-aminopiperidine dihydrochloride

Work with 1-Benzylpiperidin-4-amine dihydrochloride

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-Amino-1-benzylpiperidine50541-93-0Free base

Similar compounds

(S)-3-Amino-1-benzylpyrrolidine dihydrochloride131852-54-581 % similar (3S)-(+)-1-Benzyl-3-aminopyrrolidine114715-38-772 % similar (3R)-1-Benzylpyrrolidin-3-amine114715-39-872 % similar 1-Benzyl-3-aminopyrrolidine18471-40-472 % similar 1-Phenethyl-piperidin-4-ylamine51448-56-766 % similar (R)-3-Amino-1-benzylpiperidine168466-84-058 % similar (3S)-1-(Phenylmethyl)-3-piperidinamine168466-85-158 % similar 1-Benzylpiperidin-3-amine60407-35-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(3S)-1-(Phenylmethyl)-3-piperidinamine dihydrochloride307532-02-1

Elsewhere

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