(1-ethylpiperidin-4-yl) N-tert-butylcarbamate

C12H24N2O2 — CID 174424226

IUPAC(1-ethylpiperidin-4-yl) N-tert-butylcarbamate
SMILESCCN1CCC(OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-5-14-8-6-10(7-9-14)16-11(15)13-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyWXADQSHQYPDSNO-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.00
Rot. Bonds2

About (1-ethylpiperidin-4-yl) N-tert-butylcarbamate

(1-ethylpiperidin-4-yl) N-tert-butylcarbamate (PubChem CID 174424226) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl) N-tert-butylcarbamate
PubChem CID174424226
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(1-ethylpiperidin-4-yl) N-tert-butylcarbamate
SMILESCCN1CCC(OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-5-14-8-6-10(7-9-14)16-11(15)13-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyWXADQSHQYPDSNO-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl) N-tert-butylcarbamate?
The IUPAC name of (1-ethylpiperidin-4-yl) N-tert-butylcarbamate (CID 174424226) is (1-ethylpiperidin-4-yl) N-tert-butylcarbamate.
What is the SMILES notation for (1-ethylpiperidin-4-yl) N-tert-butylcarbamate?
The canonical SMILES for (1-ethylpiperidin-4-yl) N-tert-butylcarbamate is CCN1CCC(OC(=O)NC(C)(C)C)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl) N-tert-butylcarbamate?
The InChIKey is WXADQSHQYPDSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-14-8-6-10(7-9-14)16-11(15)13-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of (1-ethylpiperidin-4-yl) N-tert-butylcarbamate?
(1-ethylpiperidin-4-yl) N-tert-butylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl) N-tert-butylcarbamate is sourced from PubChem (CID 174424226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).