3-methylbutyl 4-propylpiperidine-4-carboxylate

C14H27NO2 — CID 63125909

IUPAC3-methylbutyl 4-propylpiperidine-4-carboxylate
SMILESCCCC1(C(=O)OCCC(C)C)CCNCC1
InChIInChI=1S/C14H27NO2/c1-4-6-14(7-9-15-10-8-14)13(16)17-11-5-12(2)3/h12,15H,4-11H2,1-3H3
InChIKeyMOZSEMUJSGHWFH-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.75
Rot. Bonds6

About 3-methylbutyl 4-propylpiperidine-4-carboxylate

3-methylbutyl 4-propylpiperidine-4-carboxylate (PubChem CID 63125909) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-methylbutyl 4-propylpiperidine-4-carboxylate.

Molecular Properties

Compound Name3-methylbutyl 4-propylpiperidine-4-carboxylate
PubChem CID63125909
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-methylbutyl 4-propylpiperidine-4-carboxylate
SMILESCCCC1(C(=O)OCCC(C)C)CCNCC1
InChIInChI=1S/C14H27NO2/c1-4-6-14(7-9-15-10-8-14)13(16)17-11-5-12(2)3/h12,15H,4-11H2,1-3H3
InChIKeyMOZSEMUJSGHWFH-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 4-propylpiperidine-4-carboxylate?
The IUPAC name of 3-methylbutyl 4-propylpiperidine-4-carboxylate (CID 63125909) is 3-methylbutyl 4-propylpiperidine-4-carboxylate.
What is the SMILES notation for 3-methylbutyl 4-propylpiperidine-4-carboxylate?
The canonical SMILES for 3-methylbutyl 4-propylpiperidine-4-carboxylate is CCCC1(C(=O)OCCC(C)C)CCNCC1.
What is the InChIKey of 3-methylbutyl 4-propylpiperidine-4-carboxylate?
The InChIKey is MOZSEMUJSGHWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-6-14(7-9-15-10-8-14)13(16)17-11-5-12(2)3/h12,15H,4-11H2,1-3H3.
What are the key properties of 3-methylbutyl 4-propylpiperidine-4-carboxylate?
3-methylbutyl 4-propylpiperidine-4-carboxylate has a molecular weight of 241.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 4-propylpiperidine-4-carboxylate is sourced from PubChem (CID 63125909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).