3-methyl-5-pentan-3-ylpiperidine

C11H23N — CID 106780656

IUPAC3-methyl-5-pentan-3-ylpiperidine
SMILESCCC(CC)C1CNCC(C)C1
InChIInChI=1S/C11H23N/c1-4-10(5-2)11-6-9(3)7-12-8-11/h9-12H,4-8H2,1-3H3
InChIKeyVRIRSORQOYPWIT-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.67
Rot. Bonds3

About 3-methyl-5-pentan-3-ylpiperidine

3-methyl-5-pentan-3-ylpiperidine (PubChem CID 106780656) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 3-methyl-5-pentan-3-ylpiperidine.

Molecular Properties

Compound Name3-methyl-5-pentan-3-ylpiperidine
PubChem CID106780656
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name3-methyl-5-pentan-3-ylpiperidine
SMILESCCC(CC)C1CNCC(C)C1
InChIInChI=1S/C11H23N/c1-4-10(5-2)11-6-9(3)7-12-8-11/h9-12H,4-8H2,1-3H3
InChIKeyVRIRSORQOYPWIT-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pentan-3-ylpiperidine?
The IUPAC name of 3-methyl-5-pentan-3-ylpiperidine (CID 106780656) is 3-methyl-5-pentan-3-ylpiperidine.
What is the SMILES notation for 3-methyl-5-pentan-3-ylpiperidine?
The canonical SMILES for 3-methyl-5-pentan-3-ylpiperidine is CCC(CC)C1CNCC(C)C1.
What is the InChIKey of 3-methyl-5-pentan-3-ylpiperidine?
The InChIKey is VRIRSORQOYPWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-4-10(5-2)11-6-9(3)7-12-8-11/h9-12H,4-8H2,1-3H3.
What are the key properties of 3-methyl-5-pentan-3-ylpiperidine?
3-methyl-5-pentan-3-ylpiperidine has a molecular weight of 169.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pentan-3-ylpiperidine is sourced from PubChem (CID 106780656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).