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

C12H24N2O3 — CID 175304424

IUPAC(1-ethoxypiperidin-4-yl) N-tert-butylcarbamate
SMILESCCON1CCC(OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O3/c1-5-16-14-8-6-10(7-9-14)17-11(15)13-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyVYCHFKHBPNLBGL-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.93
Rot. Bonds3

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

(1-ethoxypiperidin-4-yl) N-tert-butylcarbamate (PubChem CID 175304424) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (1-ethoxypiperidin-4-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(1-ethoxypiperidin-4-yl) N-tert-butylcarbamate
PubChem CID175304424
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(1-ethoxypiperidin-4-yl) N-tert-butylcarbamate
SMILESCCON1CCC(OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C12H24N2O3/c1-5-16-14-8-6-10(7-9-14)17-11(15)13-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyVYCHFKHBPNLBGL-UHFFFAOYSA-N
XLogP1.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylpiperidin-4-yl) N-tert-butylcarbamate
CID 174424226
(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
CID 90693574
(3-ethoxycyclopentyl) N-tert-butylcarbamate
CID 162785975
cyclopropyl N-(2-methylbutan-2-yl)carbamate
CID 165444750
[1-(1,1,1-trifluoropropan-2-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 174969503
[(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate
CID 175379340
[4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate
CID 175281282
(3-sulfanylcyclobutyl) N-tert-butylcarbamate
CID 165144304
[4-[(3,5-diethylpyrazol-1-yl)methyl]cyclohexyl] N-tert-butylcarbamate
CID 174662225
[(3R)-1-[[1-(trifluoromethyl)cyclopropyl]methyl]pyrrolidin-3-yl] N-tert-butylcarbamate
CID 175578159
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236
[1-[[5-(hydroxymethyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174908487

Frequently Asked Questions

What is the IUPAC name of (1-ethoxypiperidin-4-yl) N-tert-butylcarbamate?
The IUPAC name of (1-ethoxypiperidin-4-yl) N-tert-butylcarbamate (CID 175304424) is (1-ethoxypiperidin-4-yl) N-tert-butylcarbamate.
What is the SMILES notation for (1-ethoxypiperidin-4-yl) N-tert-butylcarbamate?
The canonical SMILES for (1-ethoxypiperidin-4-yl) N-tert-butylcarbamate is CCON1CCC(OC(=O)NC(C)(C)C)CC1.
What is the InChIKey of (1-ethoxypiperidin-4-yl) N-tert-butylcarbamate?
The InChIKey is VYCHFKHBPNLBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-16-14-8-6-10(7-9-14)17-11(15)13-12(2,3)4/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of (1-ethoxypiperidin-4-yl) N-tert-butylcarbamate?
(1-ethoxypiperidin-4-yl) N-tert-butylcarbamate has a molecular weight of 244.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxypiperidin-4-yl) N-tert-butylcarbamate is sourced from PubChem (CID 175304424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).