tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate

C14H26F2N2O3 — CID 122675693

IUPACtert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate
SMILESC[C@H](CN1CCCC(OC(F)F)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26F2N2O3/c1-10(17-13(19)21-14(2,3)4)8-18-7-5-6-11(9-18)20-12(15)16/h10-12H,5-9H2,1-4H3,(H,17,19)/t10-,11?/m1/s1
InChIKeyLLJGFQWOXASQDF-NFJWQWPMSA-N
MW308.37 g/mol
LogP2.60
Rot. Bonds5

About tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate (PubChem CID 122675693) has the molecular formula C14H26F2N2O3 and a molecular weight of 308.37 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate
PubChem CID122675693
Molecular FormulaC14H26F2N2O3
Molecular Weight308.37 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate
SMILESC[C@H](CN1CCCC(OC(F)F)C1)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H26F2N2O3/c1-10(17-13(19)21-14(2,3)4)8-18-7-5-6-11(9-18)20-12(15)16/h10-12H,5-9H2,1-4H3,(H,17,19)/t10-,11?/m1/s1
InChIKeyLLJGFQWOXASQDF-NFJWQWPMSA-N
XLogP2.60
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate (CID 122675693) is tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate is C[C@H](CN1CCCC(OC(F)F)C1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate?
The InChIKey is LLJGFQWOXASQDF-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H26F2N2O3/c1-10(17-13(19)21-14(2,3)4)8-18-7-5-6-11(9-18)20-12(15)16/h10-12H,5-9H2,1-4H3,(H,17,19)/t10-,11?/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate has a molecular weight of 308.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 122675693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).