4-(2,3,3-trimethylpentan-2-yl)piperidine

C13H27N — CID 142407783

IUPAC4-(2,3,3-trimethylpentan-2-yl)piperidine
SMILESCCC(C)(C)C(C)(C)C1CCNCC1
InChIInChI=1S/C13H27N/c1-6-12(2,3)13(4,5)11-7-9-14-10-8-11/h11,14H,6-10H2,1-5H3
InChIKeyJZHGWERSLFBJAV-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.45
Rot. Bonds3

About 4-(2,3,3-trimethylpentan-2-yl)piperidine

4-(2,3,3-trimethylpentan-2-yl)piperidine (PubChem CID 142407783) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-(2,3,3-trimethylpentan-2-yl)piperidine.

Molecular Properties

Compound Name4-(2,3,3-trimethylpentan-2-yl)piperidine
PubChem CID142407783
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-(2,3,3-trimethylpentan-2-yl)piperidine
SMILESCCC(C)(C)C(C)(C)C1CCNCC1
InChIInChI=1S/C13H27N/c1-6-12(2,3)13(4,5)11-7-9-14-10-8-11/h11,14H,6-10H2,1-5H3
InChIKeyJZHGWERSLFBJAV-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,3-trimethylpentan-2-yl)piperidine?
The IUPAC name of 4-(2,3,3-trimethylpentan-2-yl)piperidine (CID 142407783) is 4-(2,3,3-trimethylpentan-2-yl)piperidine.
What is the SMILES notation for 4-(2,3,3-trimethylpentan-2-yl)piperidine?
The canonical SMILES for 4-(2,3,3-trimethylpentan-2-yl)piperidine is CCC(C)(C)C(C)(C)C1CCNCC1.
What is the InChIKey of 4-(2,3,3-trimethylpentan-2-yl)piperidine?
The InChIKey is JZHGWERSLFBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-6-12(2,3)13(4,5)11-7-9-14-10-8-11/h11,14H,6-10H2,1-5H3.
What are the key properties of 4-(2,3,3-trimethylpentan-2-yl)piperidine?
4-(2,3,3-trimethylpentan-2-yl)piperidine has a molecular weight of 197.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,3-trimethylpentan-2-yl)piperidine is sourced from PubChem (CID 142407783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).