propyl 4-amino-1-methylpiperidine-4-carboxylate

C10H20N2O2 — CID 45089541

IUPACpropyl 4-amino-1-methylpiperidine-4-carboxylate
SMILESCCCOC(=O)C1(N)CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-3-8-14-9(13)10(11)4-6-12(2)7-5-10/h3-8,11H2,1-2H3
InChIKeyFXHZUEBBDZCZFM-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.36
Rot. Bonds3

About propyl 4-amino-1-methylpiperidine-4-carboxylate

propyl 4-amino-1-methylpiperidine-4-carboxylate (PubChem CID 45089541) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is propyl 4-amino-1-methylpiperidine-4-carboxylate.

Molecular Properties

Compound Namepropyl 4-amino-1-methylpiperidine-4-carboxylate
PubChem CID45089541
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namepropyl 4-amino-1-methylpiperidine-4-carboxylate
SMILESCCCOC(=O)C1(N)CCN(C)CC1
InChIInChI=1S/C10H20N2O2/c1-3-8-14-9(13)10(11)4-6-12(2)7-5-10/h3-8,11H2,1-2H3
InChIKeyFXHZUEBBDZCZFM-UHFFFAOYSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propyl 4-amino-1-methylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propyl 4-amino-1-methylpiperidine-4-carboxylate?
The IUPAC name of propyl 4-amino-1-methylpiperidine-4-carboxylate (CID 45089541) is propyl 4-amino-1-methylpiperidine-4-carboxylate.
What is the SMILES notation for propyl 4-amino-1-methylpiperidine-4-carboxylate?
The canonical SMILES for propyl 4-amino-1-methylpiperidine-4-carboxylate is CCCOC(=O)C1(N)CCN(C)CC1.
What is the InChIKey of propyl 4-amino-1-methylpiperidine-4-carboxylate?
The InChIKey is FXHZUEBBDZCZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-8-14-9(13)10(11)4-6-12(2)7-5-10/h3-8,11H2,1-2H3.
What are the key properties of propyl 4-amino-1-methylpiperidine-4-carboxylate?
propyl 4-amino-1-methylpiperidine-4-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-amino-1-methylpiperidine-4-carboxylate is sourced from PubChem (CID 45089541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).