3-ethyl-1,5-di(propan-2-yl)piperidine

C13H27N — CID 135137070

IUPAC3-ethyl-1,5-di(propan-2-yl)piperidine
SMILESCCC1CC(C(C)C)CN(C(C)C)C1
InChIInChI=1S/C13H27N/c1-6-12-7-13(10(2)3)9-14(8-12)11(4)5/h10-13H,6-9H2,1-5H3
InChIKeyBVMOFIQEMHYVBK-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.40
Rot. Bonds3

About 3-ethyl-1,5-di(propan-2-yl)piperidine

3-ethyl-1,5-di(propan-2-yl)piperidine (PubChem CID 135137070) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-ethyl-1,5-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name3-ethyl-1,5-di(propan-2-yl)piperidine
PubChem CID135137070
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-ethyl-1,5-di(propan-2-yl)piperidine
SMILESCCC1CC(C(C)C)CN(C(C)C)C1
InChIInChI=1S/C13H27N/c1-6-12-7-13(10(2)3)9-14(8-12)11(4)5/h10-13H,6-9H2,1-5H3
InChIKeyBVMOFIQEMHYVBK-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5-di(propan-2-yl)piperidine?
The IUPAC name of 3-ethyl-1,5-di(propan-2-yl)piperidine (CID 135137070) is 3-ethyl-1,5-di(propan-2-yl)piperidine.
What is the SMILES notation for 3-ethyl-1,5-di(propan-2-yl)piperidine?
The canonical SMILES for 3-ethyl-1,5-di(propan-2-yl)piperidine is CCC1CC(C(C)C)CN(C(C)C)C1.
What is the InChIKey of 3-ethyl-1,5-di(propan-2-yl)piperidine?
The InChIKey is BVMOFIQEMHYVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-12-7-13(10(2)3)9-14(8-12)11(4)5/h10-13H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-1,5-di(propan-2-yl)piperidine?
3-ethyl-1,5-di(propan-2-yl)piperidine has a molecular weight of 197.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5-di(propan-2-yl)piperidine is sourced from PubChem (CID 135137070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).