tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate

C25H50N4O4 — CID 157064905

IUPACtert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCCCC1.CN(CCN1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2.C12H24N2O2/c1-13(2,3)17-12(16)14(4)10-11-15-8-6-5-7-9-15;1-12(2,3)16-11(15)13-7-10-14-8-5-4-6-9-14/h5-11H2,1-4H3;4-10H2,1-3H3,(H,13,15)
InChIKeyABTLAEYIHZTFRZ-UHFFFAOYSA-N
MW470.70 g/mol
LogP4.34
Rot. Bonds6

About tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate

tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate (PubChem CID 157064905) has the molecular formula C25H50N4O4 and a molecular weight of 470.70 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate
PubChem CID157064905
Molecular FormulaC25H50N4O4
Molecular Weight470.70 g/mol
Exact Mass470.38
IUPAC Nametert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCCCC1.CN(CCN1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2.C12H24N2O2/c1-13(2,3)17-12(16)14(4)10-11-15-8-6-5-7-9-15;1-12(2,3)16-11(15)13-7-10-14-8-5-4-6-9-14/h5-11H2,1-4H3;4-10H2,1-3H3,(H,13,15)
InChIKeyABTLAEYIHZTFRZ-UHFFFAOYSA-N
XLogP4.34
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.70
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate?
The IUPAC name of tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate (CID 157064905) is tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate is CC(C)(C)OC(=O)NCCN1CCCCC1.CN(CCN1CCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate?
The InChIKey is ABTLAEYIHZTFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.C12H24N2O2/c1-13(2,3)17-12(16)14(4)10-11-15-8-6-5-7-9-15;1-12(2,3)16-11(15)13-7-10-14-8-5-4-6-9-14/h5-11H2,1-4H3;4-10H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate?
tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate has a molecular weight of 470.70 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-(2-piperidin-1-ylethyl)carbamate;tert-butyl N-(2-piperidin-1-ylethyl)carbamate is sourced from PubChem (CID 157064905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).