[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid

C10H17F3N2O3 — CID 67144661

IUPAC[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid
SMILESO=C(O)NC(CO)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)7-1-3-15(4-2-7)5-8(6-16)14-9(17)18/h7-8,14,16H,1-6H2,(H,17,18)
InChIKeyFENYXFHTZAEWSJ-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.89
Rot. Bonds4

About [1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid

[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid (PubChem CID 67144661) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is [1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid
PubChem CID67144661
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid
SMILESO=C(O)NC(CO)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O3/c11-10(12,13)7-1-3-15(4-2-7)5-8(6-16)14-9(17)18/h7-8,14,16H,1-6H2,(H,17,18)
InChIKeyFENYXFHTZAEWSJ-UHFFFAOYSA-N
XLogP0.89
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid?
The IUPAC name of [1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid (CID 67144661) is [1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid.
What is the SMILES notation for [1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid?
The canonical SMILES for [1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid is O=C(O)NC(CO)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of [1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid?
The InChIKey is FENYXFHTZAEWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c11-10(12,13)7-1-3-15(4-2-7)5-8(6-16)14-9(17)18/h7-8,14,16H,1-6H2,(H,17,18).
What are the key properties of [1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid?
[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid has a molecular weight of 270.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid is sourced from PubChem (CID 67144661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).