N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride

C8H14ClF3N2O — CID 175043924

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride
SMILESCl.O=CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)5-13-3-1-7(2-4-13)12-6-14;/h6-7H,1-5H2,(H,12,14);1H
InChIKeyVZBJAACMNJSFEG-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.18
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride

N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride (PubChem CID 175043924) has the molecular formula C8H14ClF3N2O and a molecular weight of 246.66 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride
PubChem CID175043924
Molecular FormulaC8H14ClF3N2O
Molecular Weight246.66 g/mol
Exact Mass246.07
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride
SMILESCl.O=CNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H13F3N2O.ClH/c9-8(10,11)5-13-3-1-7(2-4-13)12-6-14;/h6-7H,1-5H2,(H,12,14);1H
InChIKeyVZBJAACMNJSFEG-UHFFFAOYSA-N
XLogP1.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride 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 N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride (CID 175043924) is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride is Cl.O=CNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride?
The InChIKey is VZBJAACMNJSFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O.ClH/c9-8(10,11)5-13-3-1-7(2-4-13)12-6-14;/h6-7H,1-5H2,(H,12,14);1H.
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride?
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride has a molecular weight of 246.66 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide;hydrochloride is sourced from PubChem (CID 175043924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).