(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate

C18H34N2O2 — CID 54197101

IUPAC(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate
SMILESCCC1(C)CC(OC(=O)N2CCCCC2)C(C)C(C)(CC)N1
InChIInChI=1S/C18H34N2O2/c1-6-17(4)13-15(14(3)18(5,7-2)19-17)22-16(21)20-11-9-8-10-12-20/h14-15,19H,6-13H2,1-5H3
InChIKeyPMPHKXCHGZXYRV-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.94
Rot. Bonds3

About (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate

(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate (PubChem CID 54197101) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate
PubChem CID54197101
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate
SMILESCCC1(C)CC(OC(=O)N2CCCCC2)C(C)C(C)(CC)N1
InChIInChI=1S/C18H34N2O2/c1-6-17(4)13-15(14(3)18(5,7-2)19-17)22-16(21)20-11-9-8-10-12-20/h14-15,19H,6-13H2,1-5H3
InChIKeyPMPHKXCHGZXYRV-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate?
The IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate (CID 54197101) is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate.
What is the SMILES notation for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate?
The canonical SMILES for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate is CCC1(C)CC(OC(=O)N2CCCCC2)C(C)C(C)(CC)N1.
What is the InChIKey of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate?
The InChIKey is PMPHKXCHGZXYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-6-17(4)13-15(14(3)18(5,7-2)19-17)22-16(21)20-11-9-8-10-12-20/h14-15,19H,6-13H2,1-5H3.
What are the key properties of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate?
(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) piperidine-1-carboxylate is sourced from PubChem (CID 54197101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).