methyl 3-aminopiperidine-1-carboxylate

C7H14N2O2 — CID 22273098

IUPACmethyl 3-aminopiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(N)C1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)9-4-2-3-6(8)5-9/h6H,2-5,8H2,1H3
InChIKeyQSPHDAVASCLQCU-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.18
Rot. Bonds

About methyl 3-aminopiperidine-1-carboxylate

methyl 3-aminopiperidine-1-carboxylate (PubChem CID 22273098) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 3-aminopiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-aminopiperidine-1-carboxylate
PubChem CID22273098
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl 3-aminopiperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(N)C1
InChIInChI=1S/C7H14N2O2/c1-11-7(10)9-4-2-3-6(8)5-9/h6H,2-5,8H2,1H3
InChIKeyQSPHDAVASCLQCU-UHFFFAOYSA-N
XLogP0.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-aminopiperidine-1-carboxylate?
The IUPAC name of methyl 3-aminopiperidine-1-carboxylate (CID 22273098) is methyl 3-aminopiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-aminopiperidine-1-carboxylate?
The canonical SMILES for methyl 3-aminopiperidine-1-carboxylate is COC(=O)N1CCCC(N)C1.
What is the InChIKey of methyl 3-aminopiperidine-1-carboxylate?
The InChIKey is QSPHDAVASCLQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-11-7(10)9-4-2-3-6(8)5-9/h6H,2-5,8H2,1H3.
What are the key properties of methyl 3-aminopiperidine-1-carboxylate?
methyl 3-aminopiperidine-1-carboxylate has a molecular weight of 158.20 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-aminopiperidine-1-carboxylate is sourced from PubChem (CID 22273098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).