4-Hydroxypiperidine Hydrochloride

CAS: 5382-17-2 | C5H12ClNO

2D Structure

Loading 3D structure...

CAS Registry Number

5382-17-2

SMILES

Cl.OC1CCNCC1

InChI Key

VKCORPXOKYDINR-UHFFFAOYSA-N

InChI

InChI=1S/C5H11NO.ClH/c7-5-1-3-6-4-2-5;/h5-7H,1-4H2;1H

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	137.61 g/mol	CAS Common Chemistry
	137.607 g/mol	chempirical lib
Canonical SMILES	Cl.OC1CCNCC1	CAS Common Chemistry
InChI	InChI=1S/C5H11NO.ClH/c7-5-1-3-6-4-2-5;/h5-7H,1-4H2;1H	CAS Common Chemistry
InChI Key	InChIKey=VKCORPXOKYDINR-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	147-149 °C	CAS Common Chemistry
Name	4-Hydroxypiperidine hydrochloride	CAS Common Chemistry
Heavy Atom Count	8	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	32.26 Å²	RDKit
LogP	0.1524999999999999	RDKit
	0.1525	RDKit
Molar Refractivity	35.3585 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	137.060741684 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C5H12ClNO.