2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate

C12H24N2O2 — CID 156654436

IUPAC2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate
SMILESC[C@H]1CCNC[C@H]1NC(=O)OCC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9-5-6-13-7-10(9)14-11(15)16-8-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyJURHLZNGPFQZKI-VHSXEESVSA-N
MW228.34 g/mol
LogP1.76
Rot. Bonds2

About 2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate

2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate (PubChem CID 156654436) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Name2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate
PubChem CID156654436
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate
SMILESC[C@H]1CCNC[C@H]1NC(=O)OCC(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9-5-6-13-7-10(9)14-11(15)16-8-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyJURHLZNGPFQZKI-VHSXEESVSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylpropyl N-pyrrolidin-3-ylcarbamate
CID 142337471
N-(4-methylpiperidin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602524
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
2,2-dimethyl-N-(4-methylpiperidin-3-yl)butanamide
CID 63329342
1-tert-butyl-3-(4-methylpiperidin-3-yl)urea
CID 63329745
2,2-difluoro-N-(4-methylpiperidin-3-yl)propanamide
CID 131048531
2-bromo-N-(4-methylpiperidin-3-yl)acetamide
CID 165439704
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
N-(4-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602525
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
CID 102548857

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate?
The IUPAC name of 2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate (CID 156654436) is 2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for 2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate?
The canonical SMILES for 2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate is C[C@H]1CCNC[C@H]1NC(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate?
The InChIKey is JURHLZNGPFQZKI-VHSXEESVSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-5-6-13-7-10(9)14-11(15)16-8-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m0/s1.
What are the key properties of 2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate?
2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl N-[(3S,4S)-4-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 156654436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).