1-(2,4,4-trimethylpentan-2-yl)piperidine

C13H27N — CID 58442300

IUPAC1-(2,4,4-trimethylpentan-2-yl)piperidine
SMILESCC(C)(C)CC(C)(C)N1CCCCC1
InChIInChI=1S/C13H27N/c1-12(2,3)11-13(4,5)14-9-7-6-8-10-14/h6-11H2,1-5H3
InChIKeyOLJPNQDDYLFODY-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds2

About 1-(2,4,4-trimethylpentan-2-yl)piperidine

1-(2,4,4-trimethylpentan-2-yl)piperidine (PubChem CID 58442300) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 1-(2,4,4-trimethylpentan-2-yl)piperidine.

Molecular Properties

Compound Name1-(2,4,4-trimethylpentan-2-yl)piperidine
PubChem CID58442300
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name1-(2,4,4-trimethylpentan-2-yl)piperidine
SMILESCC(C)(C)CC(C)(C)N1CCCCC1
InChIInChI=1S/C13H27N/c1-12(2,3)11-13(4,5)14-9-7-6-8-10-14/h6-11H2,1-5H3
InChIKeyOLJPNQDDYLFODY-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1,3,5-trimethyl-
CID 100164
1-Ethyl-3-methylpiperidine
CID 102760
Piperidine, 1-ethyl-2,2,6,6-tetramethyl-
CID 122564
cis-1,3,5-Trimethylpiperidine
CID 642618
1,3,3-Trimethylpiperidine
CID 12413605
1-Tert-butyl-piperidine
CID 13149218
Piperidine, 1,3,3,5,5-pentamethyl-
CID 13700390
rel-(3R,5R)-1,3,5-Trimethylpiperidine
CID 21600125
1,4,4-Trimethylpiperidine
CID 136794
4-Tert-butyl-1-ethylpiperidine
CID 287952
1-Butyl-3-methylpiperidine
CID 6428881
Piperidine, 1-propyl-3-methyl
CID 6428890

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4-trimethylpentan-2-yl)piperidine?
The IUPAC name of 1-(2,4,4-trimethylpentan-2-yl)piperidine (CID 58442300) is 1-(2,4,4-trimethylpentan-2-yl)piperidine.
What is the SMILES notation for 1-(2,4,4-trimethylpentan-2-yl)piperidine?
The canonical SMILES for 1-(2,4,4-trimethylpentan-2-yl)piperidine is CC(C)(C)CC(C)(C)N1CCCCC1.
What is the InChIKey of 1-(2,4,4-trimethylpentan-2-yl)piperidine?
The InChIKey is OLJPNQDDYLFODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)11-13(4,5)14-9-7-6-8-10-14/h6-11H2,1-5H3.
What are the key properties of 1-(2,4,4-trimethylpentan-2-yl)piperidine?
1-(2,4,4-trimethylpentan-2-yl)piperidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4-trimethylpentan-2-yl)piperidine is sourced from PubChem (CID 58442300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).