[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid

C9H15F3N2O3 — CID 166771347

IUPAC[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCN(CCOC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)17-5-4-14-3-1-2-7(6-14)13-8(15)16/h7,13H,1-6H2,(H,15,16)/t7-/m1/s1
InChIKeyNJPRDNOQDYHDIK-SSDOTTSWSA-N
MW256.22 g/mol
LogP1.25
Rot. Bonds4

About [(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid

[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid (PubChem CID 166771347) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is [(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid
PubChem CID166771347
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCCN(CCOC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O3/c10-9(11,12)17-5-4-14-3-1-2-7(6-14)13-8(15)16/h7,13H,1-6H2,(H,15,16)/t7-/m1/s1
InChIKeyNJPRDNOQDYHDIK-SSDOTTSWSA-N
XLogP1.25
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid?
The IUPAC name of [(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid (CID 166771347) is [(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CCCN(CCOC(F)(F)F)C1.
What is the InChIKey of [(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid?
The InChIKey is NJPRDNOQDYHDIK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c10-9(11,12)17-5-4-14-3-1-2-7(6-14)13-8(15)16/h7,13H,1-6H2,(H,15,16)/t7-/m1/s1.
What are the key properties of [(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid?
[(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid has a molecular weight of 256.22 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-(trifluoromethoxy)ethyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 166771347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).