methyl 4-amino-1-methylpiperidine-4-carboxylate

C8H16N2O2 — CID 18698416

IUPACmethyl 4-amino-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(N)CCN(C)CC1
InChIInChI=1S/C8H16N2O2/c1-10-5-3-8(9,4-6-10)7(11)12-2/h3-6,9H2,1-2H3
InChIKeyHXFIAESZRPPCQF-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.42
Rot. Bonds1

About methyl 4-amino-1-methylpiperidine-4-carboxylate

methyl 4-amino-1-methylpiperidine-4-carboxylate (PubChem CID 18698416) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl 4-amino-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-methylpiperidine-4-carboxylate
PubChem CID18698416
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl 4-amino-1-methylpiperidine-4-carboxylate
SMILESCOC(=O)C1(N)CCN(C)CC1
InChIInChI=1S/C8H16N2O2/c1-10-5-3-8(9,4-6-10)7(11)12-2/h3-6,9H2,1-2H3
InChIKeyHXFIAESZRPPCQF-UHFFFAOYSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-methylpiperidine-4-carboxylate?
The IUPAC name of methyl 4-amino-1-methylpiperidine-4-carboxylate (CID 18698416) is methyl 4-amino-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 4-amino-1-methylpiperidine-4-carboxylate?
The canonical SMILES for methyl 4-amino-1-methylpiperidine-4-carboxylate is COC(=O)C1(N)CCN(C)CC1.
What is the InChIKey of methyl 4-amino-1-methylpiperidine-4-carboxylate?
The InChIKey is HXFIAESZRPPCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10-5-3-8(9,4-6-10)7(11)12-2/h3-6,9H2,1-2H3.
What are the key properties of methyl 4-amino-1-methylpiperidine-4-carboxylate?
methyl 4-amino-1-methylpiperidine-4-carboxylate has a molecular weight of 172.23 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 18698416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).