tert-butyl N-(1-piperidin-4-ylethyl)carbamate

C12H24N2O2 — CID 43523185

IUPACtert-butyl N-(1-piperidin-4-ylethyl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-9(10-5-7-13-8-6-10)14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyKREFOLREHRBMLM-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.90
Rot. Bonds2

About tert-butyl N-(1-piperidin-4-ylethyl)carbamate

tert-butyl N-(1-piperidin-4-ylethyl)carbamate (PubChem CID 43523185) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-(1-piperidin-4-ylethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-piperidin-4-ylethyl)carbamate
PubChem CID43523185
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-(1-piperidin-4-ylethyl)carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-9(10-5-7-13-8-6-10)14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyKREFOLREHRBMLM-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
CP-101537
CID 11127248
1-BOC-3-Aminopiperidine
CID 545809
4-(N-Boc-amino)piperidine
CID 723833
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
1-Boc-3-(aminomethyl)piperidine
CID 2756483
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
tert-Butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 2769591
tert-butyl N-[2-(piperidin-3-yl)ethyl]carbamate
CID 4362805

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-piperidin-4-ylethyl)carbamate?
The IUPAC name of tert-butyl N-(1-piperidin-4-ylethyl)carbamate (CID 43523185) is tert-butyl N-(1-piperidin-4-ylethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-piperidin-4-ylethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-piperidin-4-ylethyl)carbamate is CC(NC(=O)OC(C)(C)C)C1CCNCC1.
What is the InChIKey of tert-butyl N-(1-piperidin-4-ylethyl)carbamate?
The InChIKey is KREFOLREHRBMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(10-5-7-13-8-6-10)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-(1-piperidin-4-ylethyl)carbamate?
tert-butyl N-(1-piperidin-4-ylethyl)carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-piperidin-4-ylethyl)carbamate is sourced from PubChem (CID 43523185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).