chempirical

(S)-3-Hydroxypiperidine hydrochloride

C5H12ClNOCAS 475058-41-4137.61 g/mol

Open in Covalent MOL file
HNOHHCl
AlcoholSecondary amine

Properties

Molecular formula
C5H12ClNO
Molar mass
137.61 g/mol
Exact mass
137.0607 Da
logP
0.15Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

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
475058-41-4
SMILES
C1C[C@@H](CNC1)O.Cl
InChIKey
VLECDMDGMKPUSK-JEDNCBNOSA-N
InChI
InChI=1S/C5H11NO.ClH/c7-5-2-1-3-6-4-5;/h5-7H,1-4H2;1H/t5-;/m0./s1

Weigh it out

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

Work with (S)-3-Hydroxypiperidine hydrochloride

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.

3-Hydroxypiperidine6859-99-0Free base, stereo not defined (R)-3-Hydroxypiperidine hydrocloride198976-43-1Enantiomer 3-Hydroxypiperidine hydrochloride64051-79-2Stereo not defined

Similar compounds

(R)-(-)-3-Pyrrolidinol hydrochloride104706-47-074 % similar (S)-3-Hydroxypyrrolidine hydrochloride122536-94-174 % similar 3-Hydroxypyrrolidine hydrochloride86070-82-874 % similar (+)-3-Pyrrolidinol100243-39-861 % similar (-)-3-Pyrrolidinol2799-21-561 % similar 3-Pyrrolidinol40499-83-061 % similar 3-Hydroxyazetidine hydrochloride18621-18-657 % similar 4-Hydroxypiperidine hydrochloride5382-17-252 % similar

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

Same formula

(3S)-3-Methylmorpholine hydrochloride1022094-03-6 (2S)-2-Methylmorpholine hydrochloride1147108-99-3 (1R,3S)-3-Aminocyclopentanol hydrochloride1279032-31-3 (1R,2S)-2-Aminocyclopentanol hydrochloride137254-03-6 1,4-Oxazepane hydrochloride178312-62-4 (Tetrahydrofuran-3-yl)methanamine hydrochloride184950-35-4 cis-(1S,2R)-2-Aminocyclopentanol hydrochloride225791-13-9

Elsewhere

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