aminomethyl piperidine-2-carboxylate

C7H14N2O2 — CID 152636457

IUPACaminomethyl piperidine-2-carboxylate
SMILESNCOC(=O)C1CCCCN1
InChIInChI=1S/C7H14N2O2/c8-5-11-7(10)6-3-1-2-4-9-6/h6,9H,1-5,8H2
InChIKeyZEQDNBTVLXQPOJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.41
Rot. Bonds2

About aminomethyl piperidine-2-carboxylate

aminomethyl piperidine-2-carboxylate (PubChem CID 152636457) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is aminomethyl piperidine-2-carboxylate.

Molecular Properties

Compound Nameaminomethyl piperidine-2-carboxylate
PubChem CID152636457
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameaminomethyl piperidine-2-carboxylate
SMILESNCOC(=O)C1CCCCN1
InChIInChI=1S/C7H14N2O2/c8-5-11-7(10)6-3-1-2-4-9-6/h6,9H,1-5,8H2
InChIKeyZEQDNBTVLXQPOJ-UHFFFAOYSA-N
XLogP-0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-aminopropyl piperidine-2-carboxylate
CID 71376838
cyclopropylmethyl (2S)-piperidine-2-carboxylate
CID 66262951
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
propyl piperidine-2-carboxylate
CID 43248024
2-cyclobutylethyl (2S)-piperidine-2-carboxylate
CID 106202846
cyanomethyl piperidine-2-carboxylate
CID 141438271
cycloheptyl (2R)-piperidine-2-carboxylate
CID 79034969
butyl (2S)-piperidine-2-carboxylate
CID 54130362
chloromethyl pyrrolidine-2-carboxylate
CID 68787302
2-ethoxyethyl piperidine-2-carboxylate
CID 61278011
octyl (2R)-piperidine-2-carboxylate
CID 11096763
2-cyclopropylethyl (2R)-pyrrolidine-2-carboxylate
CID 106202472

Frequently Asked Questions

What is the IUPAC name of aminomethyl piperidine-2-carboxylate?
The IUPAC name of aminomethyl piperidine-2-carboxylate (CID 152636457) is aminomethyl piperidine-2-carboxylate.
What is the SMILES notation for aminomethyl piperidine-2-carboxylate?
The canonical SMILES for aminomethyl piperidine-2-carboxylate is NCOC(=O)C1CCCCN1.
What is the InChIKey of aminomethyl piperidine-2-carboxylate?
The InChIKey is ZEQDNBTVLXQPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-5-11-7(10)6-3-1-2-4-9-6/h6,9H,1-5,8H2.
What are the key properties of aminomethyl piperidine-2-carboxylate?
aminomethyl piperidine-2-carboxylate has a molecular weight of 158.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl piperidine-2-carboxylate is sourced from PubChem (CID 152636457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).