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

C14H25F3N2O3 — CID 67145473

IUPACtert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(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)
InChIKeyAVZFCGVPZOAXAO-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.15
Rot. Bonds4

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

tert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate (PubChem CID 67145473) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is tert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate
PubChem CID67145473
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC Nametert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(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)
InChIKeyAVZFCGVPZOAXAO-UHFFFAOYSA-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-[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

Related Compounds

Tert-butyl 4-hydroxy-3-(methylamino)piperidine-1-carboxylate
CID 130003369
tert-butyl N-(2-hydroxyethyl)-N-(piperidin-3-yl)carbamate
CID 137698572
Tert-butyl 3-amino-4-(hydroxymethyl)piperidine-1-carboxylate
CID 83866834
tert-Butyl ((3S,4R)-4-hydroxypiperidin-3-yl)carbamate
CID 86340187
tert-butyl N-[[(2S,3S)-1-(2-hydroxyethyl)-2-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125421891
tert-butyl N-[[(2S,3S)-1-(3-hydroxypropyl)-2-(trifluoromethyl)piperidin-3-yl]methyl]carbamate
CID 125421913
(S)-tert-butyl 1-hydroxy-3-(4-(trifluoromethyl)piperidin-1-yl)propan-2-ylcarbamate
CID 58488328
tert-butyl N-[(3S,5R)-5-hydroxy-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]carbamate
CID 58865907
tert-butyl N-[(3S,4R)-3-fluoro-1-(2-hydroxyethyl)piperidin-4-yl]carbamate
CID 60200122
3-(Boc-amino)piperidin-4-ol
CID 67130180
[1-Hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamic acid
CID 67144661
2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 67145218

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate (CID 67145473) is tert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CO)CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
The InChIKey is AVZFCGVPZOAXAO-UHFFFAOYSA-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).
What are the key properties of tert-butyl N-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate?
tert-butyl N-[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-[1-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 67145473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).