methyl (2R)-2-propylpiperidine-2-carboxylate

C10H19NO2 — CID 95169858

IUPACmethyl (2R)-2-propylpiperidine-2-carboxylate
SMILESCCC[C@]1(C(=O)OC)CCCCN1
InChIInChI=1S/C10H19NO2/c1-3-6-10(9(12)13-2)7-4-5-8-11-10/h11H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyYNXUGRMPIGQMCM-SNVBAGLBSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds3

About methyl (2R)-2-propylpiperidine-2-carboxylate

methyl (2R)-2-propylpiperidine-2-carboxylate (PubChem CID 95169858) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl (2R)-2-propylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-propylpiperidine-2-carboxylate
PubChem CID95169858
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl (2R)-2-propylpiperidine-2-carboxylate
SMILESCCC[C@]1(C(=O)OC)CCCCN1
InChIInChI=1S/C10H19NO2/c1-3-6-10(9(12)13-2)7-4-5-8-11-10/h11H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyYNXUGRMPIGQMCM-SNVBAGLBSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-propylpiperidine-2-carboxylate?
The IUPAC name of methyl (2R)-2-propylpiperidine-2-carboxylate (CID 95169858) is methyl (2R)-2-propylpiperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-propylpiperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-2-propylpiperidine-2-carboxylate is CCC[C@]1(C(=O)OC)CCCCN1.
What is the InChIKey of methyl (2R)-2-propylpiperidine-2-carboxylate?
The InChIKey is YNXUGRMPIGQMCM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-6-10(9(12)13-2)7-4-5-8-11-10/h11H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-propylpiperidine-2-carboxylate?
methyl (2R)-2-propylpiperidine-2-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-propylpiperidine-2-carboxylate is sourced from PubChem (CID 95169858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).