tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate

C14H28N2O2 — CID 84805349

IUPACtert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCNCC1(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-9-7-11-6-8-15-10-14(11,4)5/h11,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyBBVLTLNWEZUUFI-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.54
Rot. Bonds3

About tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate

tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate (PubChem CID 84805349) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
PubChem CID84805349
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nametert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCNCC1(C)C
InChIInChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-9-7-11-6-8-15-10-14(11,4)5/h11,15H,6-10H2,1-5H3,(H,16,17)
InChIKeyBBVLTLNWEZUUFI-UHFFFAOYSA-N
XLogP2.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689
tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
CID 163448402
tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate
CID 84813188
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
CID 105467938
tert-butyl N-[2-(4-propan-2-ylpiperidin-3-yl)ethyl]carbamate
CID 84809189
tert-butyl N-(4-azaspiro[2.4]heptan-7-ylmethyl)carbamate
CID 105484052
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
CID 138040815
tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate
CID 84804757
tert-butyl N-[(2,2-dimethylpiperidin-4-yl)methyl]carbamate
CID 84801666
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate (CID 84805349) is tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCC1CCNCC1(C)C.
What is the InChIKey of tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate?
The InChIKey is BBVLTLNWEZUUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-9-7-11-6-8-15-10-14(11,4)5/h11,15H,6-10H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate?
tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate is sourced from PubChem (CID 84805349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).