benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride

C13H19ClN2O3 — CID 19077314

IUPACbenzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
SMILESCl.NOC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H18N2O3.ClH/c14-18-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H
InChIKeyVAYQCRJZIJPOQD-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.10
Rot. Bonds3

About benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride

benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride (PubChem CID 19077314) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
PubChem CID19077314
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Namebenzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride
SMILESCl.NOC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H18N2O3.ClH/c14-18-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H
InChIKeyVAYQCRJZIJPOQD-UHFFFAOYSA-N
XLogP2.10
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
CID 174760460
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl (1R,7S)-8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 89171157
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl acetate;benzyl (3S)-3-methoxypyrrolidine-1-carboxylate;methoxycyclopentane;hydrochloride
CID 160916363
benzyl (3S)-3-(2,2-diethoxyethoxy)piperidine-1-carboxylate
CID 26385033
benzyl 3-(2-aminoethylamino)piperidine-1-carboxylate;dihydrochloride
CID 68753675

Frequently Asked Questions

What is the IUPAC name of benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride?
The IUPAC name of benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride (CID 19077314) is benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride?
The canonical SMILES for benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride is Cl.NOC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride?
The InChIKey is VAYQCRJZIJPOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c14-18-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,14H2;1H.
What are the key properties of benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride?
benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-aminooxypiperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 19077314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).