Cyclopropylmethyl-4-amino-1-piperidine carboxylate

C10H18N2O2 — CID 17952624

IUPACcyclopropylmethyl 4-aminopiperidine-1-carboxylate
SMILESC1CC1COC(=O)N2CCC(CC2)N
InChIInChI=1S/C10H18N2O2/c11-9-3-5-12(6-4-9)10(13)14-7-8-1-2-8/h8-9H,1-7,11H2
InChIKeyIMHJLROTXPCEIZ-UHFFFAOYSA-N
MW198.26 g/mol
LogP0.50
Rot. Bonds3

About Cyclopropylmethyl-4-amino-1-piperidine carboxylate

Cyclopropylmethyl-4-amino-1-piperidine carboxylate (PubChem CID 17952624) has the molecular formula C10H18N2O2 and a molecular weight of 198.26 g/mol. Its IUPAC name is cyclopropylmethyl 4-aminopiperidine-1-carboxylate.

Molecular Properties

Compound NameCyclopropylmethyl-4-amino-1-piperidine carboxylate
PubChem CID17952624
Molecular FormulaC10H18N2O2
Molecular Weight198.26 g/mol
Exact Mass198.14
IUPAC Namecyclopropylmethyl 4-aminopiperidine-1-carboxylate
SMILESC1CC1COC(=O)N2CCC(CC2)N
InChIInChI=1S/C10H18N2O2/c11-9-3-5-12(6-4-9)10(13)14-7-8-1-2-8/h8-9H,1-7,11H2
InChIKeyIMHJLROTXPCEIZ-UHFFFAOYSA-N
XLogP0.50
TPSA55.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity208

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze Cyclopropylmethyl-4-amino-1-piperidine 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 Cyclopropylmethyl-4-amino-1-piperidine carboxylate?
The IUPAC name of Cyclopropylmethyl-4-amino-1-piperidine carboxylate (CID 17952624) is cyclopropylmethyl 4-aminopiperidine-1-carboxylate.
What is the SMILES notation for Cyclopropylmethyl-4-amino-1-piperidine carboxylate?
The canonical SMILES for Cyclopropylmethyl-4-amino-1-piperidine carboxylate is C1CC1COC(=O)N2CCC(CC2)N.
What is the InChIKey of Cyclopropylmethyl-4-amino-1-piperidine carboxylate?
The InChIKey is IMHJLROTXPCEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-9-3-5-12(6-4-9)10(13)14-7-8-1-2-8/h8-9H,1-7,11H2.
What are the key properties of Cyclopropylmethyl-4-amino-1-piperidine carboxylate?
Cyclopropylmethyl-4-amino-1-piperidine carboxylate has a molecular weight of 198.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclopropylmethyl-4-amino-1-piperidine carboxylate is sourced from PubChem (CID 17952624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).