methyl 3-propylpiperidine-3-carboxylate

C10H19NO2 — CID 56773807

IUPACmethyl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OC)CCCNC1
InChIInChI=1S/C10H19NO2/c1-3-5-10(9(12)13-2)6-4-7-11-8-10/h11H,3-8H2,1-2H3
InChIKeyHUUTZPCUFMIMEB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds3

About methyl 3-propylpiperidine-3-carboxylate

methyl 3-propylpiperidine-3-carboxylate (PubChem CID 56773807) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-propylpiperidine-3-carboxylate
PubChem CID56773807
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OC)CCCNC1
InChIInChI=1S/C10H19NO2/c1-3-5-10(9(12)13-2)6-4-7-11-8-10/h11H,3-8H2,1-2H3
InChIKeyHUUTZPCUFMIMEB-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-(4,4-difluorobutyl)piperidine-3-carboxylate
CID 178133958
pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
methyl 1-propylcyclobutane-1-carboxylate
CID 69380883
3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate
CID 66225091
N-methoxy-N-methyl-3-propylpiperidine-3-carboxamide
CID 63135339
(2-ethylcyclohexyl) 3-propylpiperidine-3-carboxylate
CID 63539695
oxolan-3-yl 3-propylpiperidine-3-carboxylate
CID 55212942
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
CID 116569758
(3,3,5-trimethylcyclohexyl) 3-propylpiperidine-3-carboxylate
CID 63541396
2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
CID 106448068
methyl (3R)-3-(2-methoxyethyl)pyrrolidine-3-carboxylate
CID 95970335

Frequently Asked Questions

What is the IUPAC name of methyl 3-propylpiperidine-3-carboxylate?
The IUPAC name of methyl 3-propylpiperidine-3-carboxylate (CID 56773807) is methyl 3-propylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 3-propylpiperidine-3-carboxylate?
The canonical SMILES for methyl 3-propylpiperidine-3-carboxylate is CCCC1(C(=O)OC)CCCNC1.
What is the InChIKey of methyl 3-propylpiperidine-3-carboxylate?
The InChIKey is HUUTZPCUFMIMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-10(9(12)13-2)6-4-7-11-8-10/h11H,3-8H2,1-2H3.
What are the key properties of methyl 3-propylpiperidine-3-carboxylate?
methyl 3-propylpiperidine-3-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propylpiperidine-3-carboxylate is sourced from PubChem (CID 56773807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).