3-ethyl-2-(3-methylbutan-2-yl)piperidine

C12H25N — CID 178128568

IUPAC3-ethyl-2-(3-methylbutan-2-yl)piperidine
SMILESCCC1CCCNC1C(C)C(C)C
InChIInChI=1S/C12H25N/c1-5-11-7-6-8-13-12(11)10(4)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyKFNGFIWZGMRVJV-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds3

About 3-ethyl-2-(3-methylbutan-2-yl)piperidine

3-ethyl-2-(3-methylbutan-2-yl)piperidine (PubChem CID 178128568) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-ethyl-2-(3-methylbutan-2-yl)piperidine.

Molecular Properties

Compound Name3-ethyl-2-(3-methylbutan-2-yl)piperidine
PubChem CID178128568
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-ethyl-2-(3-methylbutan-2-yl)piperidine
SMILESCCC1CCCNC1C(C)C(C)C
InChIInChI=1S/C12H25N/c1-5-11-7-6-8-13-12(11)10(4)9(2)3/h9-13H,5-8H2,1-4H3
InChIKeyKFNGFIWZGMRVJV-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(3-methylbutan-2-yl)piperidine?
The IUPAC name of 3-ethyl-2-(3-methylbutan-2-yl)piperidine (CID 178128568) is 3-ethyl-2-(3-methylbutan-2-yl)piperidine.
What is the SMILES notation for 3-ethyl-2-(3-methylbutan-2-yl)piperidine?
The canonical SMILES for 3-ethyl-2-(3-methylbutan-2-yl)piperidine is CCC1CCCNC1C(C)C(C)C.
What is the InChIKey of 3-ethyl-2-(3-methylbutan-2-yl)piperidine?
The InChIKey is KFNGFIWZGMRVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-11-7-6-8-13-12(11)10(4)9(2)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-2-(3-methylbutan-2-yl)piperidine?
3-ethyl-2-(3-methylbutan-2-yl)piperidine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(3-methylbutan-2-yl)piperidine is sourced from PubChem (CID 178128568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).