amino 1-methylpiperidine-4-carboxylate

C7H14N2O2 — CID 18698219

IUPACamino 1-methylpiperidine-4-carboxylate
SMILESCN1CCC(C(=O)ON)CC1
InChIInChI=1S/C7H14N2O2/c1-9-4-2-6(3-5-9)7(10)11-8/h6H,2-5,8H2,1H3
InChIKeyKNZHVGONGBUWFO-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.25
Rot. Bonds1

About amino 1-methylpiperidine-4-carboxylate

amino 1-methylpiperidine-4-carboxylate (PubChem CID 18698219) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is amino 1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameamino 1-methylpiperidine-4-carboxylate
PubChem CID18698219
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameamino 1-methylpiperidine-4-carboxylate
SMILESCN1CCC(C(=O)ON)CC1
InChIInChI=1S/C7H14N2O2/c1-9-4-2-6(3-5-9)7(10)11-8/h6H,2-5,8H2,1H3
InChIKeyKNZHVGONGBUWFO-UHFFFAOYSA-N
XLogP-0.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
4-aminooxycarbonylpiperidine-1-carboxylic acid
CID 150077485
2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate
CID 174993890
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide
CID 161073705
methyl 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
CID 145006373
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
(Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid
CID 175312259
ethane;1-methylpiperidine-4-carbothioic S-acid
CID 142071667
ethyl 1-methylpyrrolidine-3-carboxylate
CID 21202735
dodecyl 1-methylazepane-4-carboxylate
CID 155143217

Frequently Asked Questions

What is the IUPAC name of amino 1-methylpiperidine-4-carboxylate?
The IUPAC name of amino 1-methylpiperidine-4-carboxylate (CID 18698219) is amino 1-methylpiperidine-4-carboxylate.
What is the SMILES notation for amino 1-methylpiperidine-4-carboxylate?
The canonical SMILES for amino 1-methylpiperidine-4-carboxylate is CN1CCC(C(=O)ON)CC1.
What is the InChIKey of amino 1-methylpiperidine-4-carboxylate?
The InChIKey is KNZHVGONGBUWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9-4-2-6(3-5-9)7(10)11-8/h6H,2-5,8H2,1H3.
What are the key properties of amino 1-methylpiperidine-4-carboxylate?
amino 1-methylpiperidine-4-carboxylate has a molecular weight of 158.20 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 18698219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).