5-butyl-1-methyl-2-propylpiperidine

C13H27N — CID 89473131

IUPAC5-butyl-1-methyl-2-propylpiperidine
SMILESCCCCC1CCC(CCC)N(C)C1
InChIInChI=1S/C13H27N/c1-4-6-8-12-9-10-13(7-5-2)14(3)11-12/h12-13H,4-11H2,1-3H3
InChIKeyPELPVRXERJOORP-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds5

About 5-butyl-1-methyl-2-propylpiperidine

5-butyl-1-methyl-2-propylpiperidine (PubChem CID 89473131) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 5-butyl-1-methyl-2-propylpiperidine.

Molecular Properties

Compound Name5-butyl-1-methyl-2-propylpiperidine
PubChem CID89473131
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name5-butyl-1-methyl-2-propylpiperidine
SMILESCCCCC1CCC(CCC)N(C)C1
InChIInChI=1S/C13H27N/c1-4-6-8-12-9-10-13(7-5-2)14(3)11-12/h12-13H,4-11H2,1-3H3
InChIKeyPELPVRXERJOORP-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-methyl-2-propylpiperidine?
The IUPAC name of 5-butyl-1-methyl-2-propylpiperidine (CID 89473131) is 5-butyl-1-methyl-2-propylpiperidine.
What is the SMILES notation for 5-butyl-1-methyl-2-propylpiperidine?
The canonical SMILES for 5-butyl-1-methyl-2-propylpiperidine is CCCCC1CCC(CCC)N(C)C1.
What is the InChIKey of 5-butyl-1-methyl-2-propylpiperidine?
The InChIKey is PELPVRXERJOORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-6-8-12-9-10-13(7-5-2)14(3)11-12/h12-13H,4-11H2,1-3H3.
What are the key properties of 5-butyl-1-methyl-2-propylpiperidine?
5-butyl-1-methyl-2-propylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-methyl-2-propylpiperidine is sourced from PubChem (CID 89473131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).