[1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate

C19H36N2O2 — CID 137465313

IUPAC[1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate
SMILESCCC1CCN(C(=O)OC(C)(C)CC2CNCCC2CC)CC1
InChIInChI=1S/C19H36N2O2/c1-5-15-8-11-21(12-9-15)18(22)23-19(3,4)13-17-14-20-10-7-16(17)6-2/h15-17,20H,5-14H2,1-4H3
InChIKeyLSHYCCAFLIPYQC-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.05
Rot. Bonds5

About [1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate

[1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate (PubChem CID 137465313) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is [1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate
PubChem CID137465313
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name[1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate
SMILESCCC1CCN(C(=O)OC(C)(C)CC2CNCCC2CC)CC1
InChIInChI=1S/C19H36N2O2/c1-5-15-8-11-21(12-9-15)18(22)23-19(3,4)13-17-14-20-10-7-16(17)6-2/h15-17,20H,5-14H2,1-4H3
InChIKeyLSHYCCAFLIPYQC-UHFFFAOYSA-N
XLogP4.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate?
The IUPAC name of [1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate (CID 137465313) is [1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate.
What is the SMILES notation for [1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate?
The canonical SMILES for [1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate is CCC1CCN(C(=O)OC(C)(C)CC2CNCCC2CC)CC1.
What is the InChIKey of [1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate?
The InChIKey is LSHYCCAFLIPYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-5-15-8-11-21(12-9-15)18(22)23-19(3,4)13-17-14-20-10-7-16(17)6-2/h15-17,20H,5-14H2,1-4H3.
What are the key properties of [1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate?
[1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate has a molecular weight of 324.51 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylpiperidin-3-yl)-2-methylpropan-2-yl] 4-ethylpiperidine-1-carboxylate is sourced from PubChem (CID 137465313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).