methyl 1-propan-2-ylpiperidine-4-carboxylate

C10H19NO2 — CID 58914868

IUPACmethyl 1-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C10H19NO2/c1-8(2)11-6-4-9(5-7-11)10(12)13-3/h8-9H,4-7H2,1-3H3
InChIKeyGRMCCTRAYYCXEV-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds2

About methyl 1-propan-2-ylpiperidine-4-carboxylate

methyl 1-propan-2-ylpiperidine-4-carboxylate (PubChem CID 58914868) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 1-propan-2-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-propan-2-ylpiperidine-4-carboxylate
PubChem CID58914868
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 1-propan-2-ylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C10H19NO2/c1-8(2)11-6-4-9(5-7-11)10(12)13-3/h8-9H,4-7H2,1-3H3
InChIKeyGRMCCTRAYYCXEV-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-propan-2-ylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-propan-2-ylpiperidine-4-carboxylate (CID 58914868) is methyl 1-propan-2-ylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-propan-2-ylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-propan-2-ylpiperidine-4-carboxylate is COC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of methyl 1-propan-2-ylpiperidine-4-carboxylate?
The InChIKey is GRMCCTRAYYCXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)11-6-4-9(5-7-11)10(12)13-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 1-propan-2-ylpiperidine-4-carboxylate?
methyl 1-propan-2-ylpiperidine-4-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-propan-2-ylpiperidine-4-carboxylate is sourced from PubChem (CID 58914868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).