tert-butyl N-(6-ethylpiperidin-3-yl)carbamate

C12H24N2O2 — CID 118142563

IUPACtert-butyl N-(6-ethylpiperidin-3-yl)carbamate
SMILESCCC1CCC(NC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C12H24N2O2/c1-5-9-6-7-10(8-13-9)14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyRTTNMZJEWCXUMB-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.04
Rot. Bonds2

About tert-butyl N-(6-ethylpiperidin-3-yl)carbamate

tert-butyl N-(6-ethylpiperidin-3-yl)carbamate (PubChem CID 118142563) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-(6-ethylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-ethylpiperidin-3-yl)carbamate
PubChem CID118142563
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-(6-ethylpiperidin-3-yl)carbamate
SMILESCCC1CCC(NC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C12H24N2O2/c1-5-9-6-7-10(8-13-9)14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyRTTNMZJEWCXUMB-UHFFFAOYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid
CID 69024931
(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 146082538
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
CID 22362314
2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid
CID 67270156
tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate
CID 134551040
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843
[6-(hydroxymethyl)piperidin-3-yl]carbamoyl 3,3-dimethylbutanoate
CID 175304656
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(3,3-dimethylbutanoylamino)cyclohexyl]carbamate
CID 86277406
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-ethylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-ethylpiperidin-3-yl)carbamate (CID 118142563) is tert-butyl N-(6-ethylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-ethylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-ethylpiperidin-3-yl)carbamate is CCC1CCC(NC(=O)OC(C)(C)C)CN1.
What is the InChIKey of tert-butyl N-(6-ethylpiperidin-3-yl)carbamate?
The InChIKey is RTTNMZJEWCXUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-9-6-7-10(8-13-9)14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(6-ethylpiperidin-3-yl)carbamate?
tert-butyl N-(6-ethylpiperidin-3-yl)carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-ethylpiperidin-3-yl)carbamate is sourced from PubChem (CID 118142563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).