tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate

C13H26N2O2 — CID 95913712

IUPACtert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H]1CCN[C@H](C)C1
InChIInChI=1S/C13H26N2O2/c1-6-15(12(16)17-13(3,4)5)11-7-8-14-10(2)9-11/h10-11,14H,6-9H2,1-5H3/t10-,11+/m1/s1
InChIKeyUQBFYDYINRDCMT-MNOVXSKESA-N
MW242.36 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate

tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate (PubChem CID 95913712) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate
PubChem CID95913712
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@H]1CCN[C@H](C)C1
InChIInChI=1S/C13H26N2O2/c1-6-15(12(16)17-13(3,4)5)11-7-8-14-10(2)9-11/h10-11,14H,6-9H2,1-5H3/t10-,11+/m1/s1
InChIKeyUQBFYDYINRDCMT-MNOVXSKESA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate (CID 95913712) is tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate is CCN(C(=O)OC(C)(C)C)[C@H]1CCN[C@H](C)C1.
What is the InChIKey of tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate?
The InChIKey is UQBFYDYINRDCMT-MNOVXSKESA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-15(12(16)17-13(3,4)5)11-7-8-14-10(2)9-11/h10-11,14H,6-9H2,1-5H3/t10-,11+/m1/s1.
What are the key properties of tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate?
tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.38, 2 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-[(2R,4S)-2-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 95913712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).