aminomethyl piperidine-4-carboxylate

C7H14N2O2 — CID 23199639

IUPACaminomethyl piperidine-4-carboxylate
SMILESNCOC(=O)C1CCNCC1
InChIInChI=1S/C7H14N2O2/c8-5-11-7(10)6-1-3-9-4-2-6/h6,9H,1-5,8H2
InChIKeyIFPZVHHYHSFCEF-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.55
Rot. Bonds2

About aminomethyl piperidine-4-carboxylate

aminomethyl piperidine-4-carboxylate (PubChem CID 23199639) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is aminomethyl piperidine-4-carboxylate.

Molecular Properties

Compound Nameaminomethyl piperidine-4-carboxylate
PubChem CID23199639
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameaminomethyl piperidine-4-carboxylate
SMILESNCOC(=O)C1CCNCC1
InChIInChI=1S/C7H14N2O2/c8-5-11-7(10)6-1-3-9-4-2-6/h6,9H,1-5,8H2
InChIKeyIFPZVHHYHSFCEF-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
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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Frequently Asked Questions

What is the IUPAC name of aminomethyl piperidine-4-carboxylate?
The IUPAC name of aminomethyl piperidine-4-carboxylate (CID 23199639) is aminomethyl piperidine-4-carboxylate.
What is the SMILES notation for aminomethyl piperidine-4-carboxylate?
The canonical SMILES for aminomethyl piperidine-4-carboxylate is NCOC(=O)C1CCNCC1.
What is the InChIKey of aminomethyl piperidine-4-carboxylate?
The InChIKey is IFPZVHHYHSFCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-5-11-7(10)6-1-3-9-4-2-6/h6,9H,1-5,8H2.
What are the key properties of aminomethyl piperidine-4-carboxylate?
aminomethyl piperidine-4-carboxylate has a molecular weight of 158.20 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl piperidine-4-carboxylate is sourced from PubChem (CID 23199639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).