methyl 1-propylpiperidine-3-carboxylate

C10H19NO2 — CID 78920436

IUPACmethyl 1-propylpiperidine-3-carboxylate
SMILESCCCN1CCCC(C(=O)OC)C1
InChIInChI=1S/C10H19NO2/c1-3-6-11-7-4-5-9(8-11)10(12)13-2/h9H,3-8H2,1-2H3
InChIKeyJWDGNEHNIJMLHL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds3

About methyl 1-propylpiperidine-3-carboxylate

methyl 1-propylpiperidine-3-carboxylate (PubChem CID 78920436) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 1-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-propylpiperidine-3-carboxylate
PubChem CID78920436
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 1-propylpiperidine-3-carboxylate
SMILESCCCN1CCCC(C(=O)OC)C1
InChIInChI=1S/C10H19NO2/c1-3-6-11-7-4-5-9(8-11)10(12)13-2/h9H,3-8H2,1-2H3
InChIKeyJWDGNEHNIJMLHL-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

1-Methylnipecotinic acid methyl ester
CID 15535
1-methylpiperidine-3-carboxylic Acid
CID 2736937
Ethyl 1-methylpiperidine-3-carboxylate
CID 97981
Methyl quinuclidine-3-carboxylate
CID 2736953
3-Piperidinecarboxylic acid, 1-methyl-4-oxo-, methyl ester
CID 25648
1-Tert-butyl 3-ethyl piperidine-1,3-dicarboxylate
CID 357727
methyl (3S)-1-methylpiperidine-3-carboxylate
CID 641103
Methyl 1-methyl-4-oxo-3-piperidinecarboxylate hydrochloride
CID 2771296
ethyl (3S)-1-methylpiperidine-3-carboxylate
CID 736035
Ethyl 1-pentanoyl-3-piperidinecarboxylate
CID 2957207
Ethyl 1-methyl-4-oxopiperidine-3-carboxylate hydrochloride
CID 6602939
Ethyl 1-methyl-4-oxopiperidine-3-carboxylate
CID 421876

Frequently Asked Questions

What is the IUPAC name of methyl 1-propylpiperidine-3-carboxylate?
The IUPAC name of methyl 1-propylpiperidine-3-carboxylate (CID 78920436) is methyl 1-propylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 1-propylpiperidine-3-carboxylate?
The canonical SMILES for methyl 1-propylpiperidine-3-carboxylate is CCCN1CCCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-propylpiperidine-3-carboxylate?
The InChIKey is JWDGNEHNIJMLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-6-11-7-4-5-9(8-11)10(12)13-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 1-propylpiperidine-3-carboxylate?
methyl 1-propylpiperidine-3-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-propylpiperidine-3-carboxylate is sourced from PubChem (CID 78920436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).