3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine

C17H35N — CID 18710927

IUPAC3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine
SMILESCCC1CC(CC)CN(C(C)(C)CC(C)(C)C)C1
InChIInChI=1S/C17H35N/c1-8-14-10-15(9-2)12-18(11-14)17(6,7)13-16(3,4)5/h14-15H,8-13H2,1-7H3
InChIKeyQSEDCKQFFFADMD-UHFFFAOYSA-N
MW253.47 g/mol
LogP4.96
Rot. Bonds4

About 3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine

3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine (PubChem CID 18710927) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine.

Molecular Properties

Compound Name3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine
PubChem CID18710927
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine
SMILESCCC1CC(CC)CN(C(C)(C)CC(C)(C)C)C1
InChIInChI=1S/C17H35N/c1-8-14-10-15(9-2)12-18(11-14)17(6,7)13-16(3,4)5/h14-15H,8-13H2,1-7H3
InChIKeyQSEDCKQFFFADMD-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine?
The IUPAC name of 3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine (CID 18710927) is 3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine.
What is the SMILES notation for 3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine?
The canonical SMILES for 3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine is CCC1CC(CC)CN(C(C)(C)CC(C)(C)C)C1.
What is the InChIKey of 3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine?
The InChIKey is QSEDCKQFFFADMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-8-14-10-15(9-2)12-18(11-14)17(6,7)13-16(3,4)5/h14-15H,8-13H2,1-7H3.
What are the key properties of 3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine?
3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine has a molecular weight of 253.47 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(2,4,4-trimethylpentan-2-yl)piperidine is sourced from PubChem (CID 18710927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).