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

C12H24N2O2 — CID 92980395

IUPACtert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCNCC1(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9-6-7-13-8-12(9,4)5/h9,13H,6-8H2,1-5H3,(H,14,15)/t9-/m1/s1
InChIKeyUPXRTDGIBOVLGV-SECBINFHSA-N
MW228.34 g/mol
LogP1.90
Rot. Bonds1

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

tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate (PubChem CID 92980395) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
PubChem CID92980395
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCNCC1(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9-6-7-13-8-12(9,4)5/h9,13H,6-8H2,1-5H3,(H,14,15)/t9-/m1/s1
InChIKeyUPXRTDGIBOVLGV-SECBINFHSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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 N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
tert-butyl N-(6-azaspiro[3.5]nonan-9-yl)carbamate;hydrochloride
CID 138040815
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
tert-butyl N-[(3R,4R)-6-azaspiro[3.4]octan-3-yl]carbamate
CID 97294998
tert-butyl N-[2-(3,3-dimethylpiperidin-4-yl)ethyl]carbamate
CID 84805349
tert-butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate
CID 124523315
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl 2-[(2R,3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-2-yl]acetate
CID 89464874
tert-butyl N-(8-azaspiro[4.5]decan-10-yl)carbamate
CID 83680565
trans-(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 15819068
tert-butyl N-piperidin-4-ylcarbamate;formic acid
CID 22990009

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate (CID 92980395) is tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCNCC1(C)C.
What is the InChIKey of tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate?
The InChIKey is UPXRTDGIBOVLGV-SECBINFHSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-9-6-7-13-8-12(9,4)5/h9,13H,6-8H2,1-5H3,(H,14,15)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate?
tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate is sourced from PubChem (CID 92980395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).