methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate

C13H24N2O2 — CID 83991561

IUPACmethyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(NC2CC2)CN(C(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)15-7-10(13(16)17-3)6-12(8-15)14-11-4-5-11/h9-12,14H,4-8H2,1-3H3
InChIKeyFSRRSEDSTWKHNN-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate

methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate (PubChem CID 83991561) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate
PubChem CID83991561
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(NC2CC2)CN(C(C)C)C1
InChIInChI=1S/C13H24N2O2/c1-9(2)15-7-10(13(16)17-3)6-12(8-15)14-11-4-5-11/h9-12,14H,4-8H2,1-3H3
InChIKeyFSRRSEDSTWKHNN-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The IUPAC name of methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate (CID 83991561) is methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The canonical SMILES for methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate is COC(=O)C1CC(NC2CC2)CN(C(C)C)C1.
What is the InChIKey of methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate?
The InChIKey is FSRRSEDSTWKHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(2)15-7-10(13(16)17-3)6-12(8-15)14-11-4-5-11/h9-12,14H,4-8H2,1-3H3.
What are the key properties of methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate?
methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclopropylamino)-1-propan-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 83991561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).