tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane

C14H30N2O2 — CID 142326878

IUPACtert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
SMILESCC.CN1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2.C2H6/c1-11(2,3)16-10(15)13-12(4)6-8-14(5)9-7-12;1-2/h6-9H2,1-5H3,(H,13,15);1-2H3
InChIKeyWYLMOBCZEKTRKH-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.02
Rot. Bonds1

About tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane

tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane (PubChem CID 142326878) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
PubChem CID142326878
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
SMILESCC.CN1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2.C2H6/c1-11(2,3)16-10(15)13-12(4)6-8-14(5)9-7-12;1-2/h6-9H2,1-5H3,(H,13,15);1-2H3
InChIKeyWYLMOBCZEKTRKH-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane?
The IUPAC name of tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane (CID 142326878) is tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane?
The canonical SMILES for tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane is CC.CN1CCC(C)(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane?
The InChIKey is WYLMOBCZEKTRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.C2H6/c1-11(2,3)16-10(15)13-12(4)6-8-14(5)9-7-12;1-2/h6-9H2,1-5H3,(H,13,15);1-2H3.
What are the key properties of tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane?
tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane has a molecular weight of 258.41 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane is sourced from PubChem (CID 142326878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).