tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate

C13H26N2O2 — CID 135177659

IUPACtert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate
SMILESCCN1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-6-15-9-7-13(5,8-10-15)14-11(16)17-12(2,3)4/h6-10H2,1-5H3,(H,14,16)
InChIKeyAJNXTLZLDSACFQ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.39
Rot. Bonds2

About tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate

tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate (PubChem CID 135177659) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate
PubChem CID135177659
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate
SMILESCCN1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H26N2O2/c1-6-15-9-7-13(5,8-10-15)14-11(16)17-12(2,3)4/h6-10H2,1-5H3,(H,14,16)
InChIKeyAJNXTLZLDSACFQ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 164896897
tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142326878
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134505512
tert-butyl N-[1-[(1,4-dimethylpiperidin-4-yl)carbamoyl]cyclopropyl]carbamate
CID 134435769
tert-butyl N-(3-methyl-1-sulfamoylazetidin-3-yl)carbamate
CID 167723970
tert-butyl N-(1-methylcyclopent-3-en-1-yl)carbamate
CID 169494715
lithium 4-[[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 175973282
benzyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 19691286
tert-butyl N-(1,1-dihydroxy-3-methylthietan-3-yl)carbamate
CID 171922241
tert-butyl N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-1-methylcyclohexyl]carbamate
CID 154784625

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate (CID 135177659) is tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate is CCN1CCC(C)(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate?
The InChIKey is AJNXTLZLDSACFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-15-9-7-13(5,8-10-15)14-11(16)17-12(2,3)4/h6-10H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate?
tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-ethyl-4-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 135177659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).