4-cyclopropyl-4-ethyl-3-methylpiperidine

C11H21N — CID 79320206

IUPAC4-cyclopropyl-4-ethyl-3-methylpiperidine
SMILESCCC1(C2CC2)CCNCC1C
InChIInChI=1S/C11H21N/c1-3-11(10-4-5-10)6-7-12-8-9(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeyHQONOMWWUZEQMS-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds2

About 4-cyclopropyl-4-ethyl-3-methylpiperidine

4-cyclopropyl-4-ethyl-3-methylpiperidine (PubChem CID 79320206) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-cyclopropyl-4-ethyl-3-methylpiperidine.

Molecular Properties

Compound Name4-cyclopropyl-4-ethyl-3-methylpiperidine
PubChem CID79320206
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-cyclopropyl-4-ethyl-3-methylpiperidine
SMILESCCC1(C2CC2)CCNCC1C
InChIInChI=1S/C11H21N/c1-3-11(10-4-5-10)6-7-12-8-9(11)2/h9-10,12H,3-8H2,1-2H3
InChIKeyHQONOMWWUZEQMS-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-ethyl-3-methylpiperidine?
The IUPAC name of 4-cyclopropyl-4-ethyl-3-methylpiperidine (CID 79320206) is 4-cyclopropyl-4-ethyl-3-methylpiperidine.
What is the SMILES notation for 4-cyclopropyl-4-ethyl-3-methylpiperidine?
The canonical SMILES for 4-cyclopropyl-4-ethyl-3-methylpiperidine is CCC1(C2CC2)CCNCC1C.
What is the InChIKey of 4-cyclopropyl-4-ethyl-3-methylpiperidine?
The InChIKey is HQONOMWWUZEQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-3-11(10-4-5-10)6-7-12-8-9(11)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 4-cyclopropyl-4-ethyl-3-methylpiperidine?
4-cyclopropyl-4-ethyl-3-methylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-ethyl-3-methylpiperidine is sourced from PubChem (CID 79320206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).