tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate

C13H26N2O2 — CID 19691413

IUPACtert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate
SMILESCCN(CC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-15(12(16)17-13(2,3)4)10-11-6-8-14-9-7-11/h11,14H,5-10H2,1-4H3
InChIKeyQTKIXLPXKKSGGQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate

tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate (PubChem CID 19691413) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate
PubChem CID19691413
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate
SMILESCCN(CC1CCNCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-5-15(12(16)17-13(2,3)4)10-11-6-8-14-9-7-11/h11,14H,5-10H2,1-4H3
InChIKeyQTKIXLPXKKSGGQ-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-1-Boc-piperidine
CID 1268291
1-(tert-Butoxycarbonyl)piperidine-4-carboxamide
CID 2735646
tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
1-BOC-3-Aminopiperidine
CID 545809
4-(N-Boc-amino)piperidine
CID 723833
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
tert-Butyl 3-(propan-2-yl)piperazine-1-carboxylate
CID 44558596
Tert-butyl (piperidin-4-ylmethyl)carbamate
CID 723429

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate (CID 19691413) is tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate is CCN(CC1CCNCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate?
The InChIKey is QTKIXLPXKKSGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-15(12(16)17-13(2,3)4)10-11-6-8-14-9-7-11/h11,14H,5-10H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate?
tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate is sourced from PubChem (CID 19691413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).