tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate

C14H25F3N2O3 — CID 58488328

IUPACtert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O3/c1-13(2,3)22-12(21)18-11(9-20)8-19-6-4-10(5-7-19)14(15,16)17/h10-11,20H,4-9H2,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyAVZFCGVPZOAXAO-NSHDSACASA-N
MW326.36 g/mol
LogP2.15
Rot. Bonds4

About tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate (PubChem CID 58488328) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate
PubChem CID58488328
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC Nametert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CO)CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N2O3/c1-13(2,3)22-12(21)18-11(9-20)8-19-6-4-10(5-7-19)14(15,16)17/h10-11,20H,4-9H2,1-3H3,(H,18,21)/t11-/m0/s1
InChIKeyAVZFCGVPZOAXAO-NSHDSACASA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate 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 tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate (CID 58488328) is tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@H](CO)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
The InChIKey is AVZFCGVPZOAXAO-NSHDSACASA-N. The full InChI is InChI=1S/C14H25F3N2O3/c1-13(2,3)22-12(21)18-11(9-20)8-19-6-4-10(5-7-19)14(15,16)17/h10-11,20H,4-9H2,1-3H3,(H,18,21)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate has a molecular weight of 326.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 58488328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).