methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid

C12H21F3N2O4 — CID 155407867

IUPACmethyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)N(C(C)C)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O2.C2HF3O2/c1-8(2)12(10(13)14-3)9-4-6-11-7-5-9;3-2(4,5)1(6)7/h8-9,11H,4-7H2,1-3H3;(H,6,7)
InChIKeyIAUUCTYKBZLYCS-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.85
Rot. Bonds2

About methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid

methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid (PubChem CID 155407867) has the molecular formula C12H21F3N2O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid
PubChem CID155407867
Molecular FormulaC12H21F3N2O4
Molecular Weight314.30 g/mol
Exact Mass314.15
IUPAC Namemethyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)N(C(C)C)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O2.C2HF3O2/c1-8(2)12(10(13)14-3)9-4-6-11-7-5-9;3-2(4,5)1(6)7/h8-9,11H,4-7H2,1-3H3;(H,6,7)
InChIKeyIAUUCTYKBZLYCS-UHFFFAOYSA-N
XLogP1.85
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid 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

2,2,2-trifluoroethyl N-(1-acetylpiperidin-4-yl)carbamate
CID 52908156
2,2,2-trifluoro-N-(piperidin-4-yl)acetamide; trifluoroacetic acid
CID 14774639
Methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75500546
Ethyl 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylate
CID 62491090
N,N-dimethylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 18917555
methyl N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)carbamate
CID 43604140
1-(4-Piperazin-1-yl-piperidin-1-yl)-ethanone trifluoroacetate
CID 67071352
N-Methyl-N-piperidin-4-yl-acetamide trifluoroacetate
CID 68475367
Ethyl piperidin-1-ium-1-carboxylate;2,2,2-trifluoroacetate
CID 68689812
1-Fluorobutyl(piperidin-4-yl)carbamic acid
CID 68804609
1-Propan-2-ylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 69289347
[1-(Azetidin-3-yl)piperidin-4-yl]-tert-butylcarbamic acid;2,2,2-trifluoroacetic acid
CID 69600513

Frequently Asked Questions

What is the IUPAC name of methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid (CID 155407867) is methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid is COC(=O)N(C(C)C)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid?
The InChIKey is IAUUCTYKBZLYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C2HF3O2/c1-8(2)12(10(13)14-3)9-4-6-11-7-5-9;3-2(4,5)1(6)7/h8-9,11H,4-7H2,1-3H3;(H,6,7).
What are the key properties of methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid?
methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid has a molecular weight of 314.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-piperidin-4-yl-N-propan-2-ylcarbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155407867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).