1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine

C14H27N — CID 90762745

IUPAC1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine
SMILESCCC1CC(CN2CCCCC2)C1(C)C
InChIInChI=1S/C14H27N/c1-4-12-10-13(14(12,2)3)11-15-8-6-5-7-9-15/h12-13H,4-11H2,1-3H3
InChIKeyYPYGYUXYLKUHRD-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.54
Rot. Bonds3

About 1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine

1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine (PubChem CID 90762745) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine
PubChem CID90762745
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine
SMILESCCC1CC(CN2CCCCC2)C1(C)C
InChIInChI=1S/C14H27N/c1-4-12-10-13(14(12,2)3)11-15-8-6-5-7-9-15/h12-13H,4-11H2,1-3H3
InChIKeyYPYGYUXYLKUHRD-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine?
The IUPAC name of 1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine (CID 90762745) is 1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine.
What is the SMILES notation for 1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine?
The canonical SMILES for 1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine is CCC1CC(CN2CCCCC2)C1(C)C.
What is the InChIKey of 1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine?
The InChIKey is YPYGYUXYLKUHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-12-10-13(14(12,2)3)11-15-8-6-5-7-9-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine?
1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine has a molecular weight of 209.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-2,2-dimethylcyclobutyl)methyl]piperidine is sourced from PubChem (CID 90762745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).