4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine

C16H33N — CID 79320802

IUPAC4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine
SMILESCCC(C)CC1(CC)CCNCC1CC(C)C
InChIInChI=1S/C16H33N/c1-6-14(5)11-16(7-2)8-9-17-12-15(16)10-13(3)4/h13-15,17H,6-12H2,1-5H3
InChIKeyHXXIDSGFBMJYHB-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds6

About 4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine

4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine (PubChem CID 79320802) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine
PubChem CID79320802
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine
SMILESCCC(C)CC1(CC)CCNCC1CC(C)C
InChIInChI=1S/C16H33N/c1-6-14(5)11-16(7-2)8-9-17-12-15(16)10-13(3)4/h13-15,17H,6-12H2,1-5H3
InChIKeyHXXIDSGFBMJYHB-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine?
The IUPAC name of 4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine (CID 79320802) is 4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine?
The canonical SMILES for 4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine is CCC(C)CC1(CC)CCNCC1CC(C)C.
What is the InChIKey of 4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine?
The InChIKey is HXXIDSGFBMJYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-6-14(5)11-16(7-2)8-9-17-12-15(16)10-13(3)4/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine?
4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 79320802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).