tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate

C17H33N3O2 — CID 68662328

IUPACtert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate
SMILESCCN1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O2/c1-5-19-10-8-15(9-11-19)20-12-6-14(7-13-20)18-16(21)22-17(2,3)4/h14-15H,5-13H2,1-4H3,(H,18,21)
InChIKeyHAXOJDVJDVJREE-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.46
Rot. Bonds3

About tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate (PubChem CID 68662328) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate
PubChem CID68662328
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Nametert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate
SMILESCCN1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O2/c1-5-19-10-8-15(9-11-19)20-12-6-14(7-13-20)18-16(21)22-17(2,3)4/h14-15H,5-13H2,1-4H3,(H,18,21)
InChIKeyHAXOJDVJDVJREE-UHFFFAOYSA-N
XLogP2.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate (CID 68662328) is tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate is CCN1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is HAXOJDVJDVJREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-5-19-10-8-15(9-11-19)20-12-6-14(7-13-20)18-16(21)22-17(2,3)4/h14-15H,5-13H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 311.47 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-ethylpiperidin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 68662328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).