N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine

C13H21F3N2O2S — CID 75387534

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine
SMILESO=S(=O)(N1CCC(NCC2CC=CCC2)CC1)C(F)(F)F
InChIInChI=1S/C13H21F3N2O2S/c14-13(15,16)21(19,20)18-8-6-12(7-9-18)17-10-11-4-2-1-3-5-11/h1-2,11-12,17H,3-10H2
InChIKeyAHAREYPYEZSTGI-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.25
Rot. Bonds4

About N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine

N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine (PubChem CID 75387534) has the molecular formula C13H21F3N2O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine
PubChem CID75387534
Molecular FormulaC13H21F3N2O2S
Molecular Weight326.38 g/mol
Exact Mass326.13
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine
SMILESO=S(=O)(N1CCC(NCC2CC=CCC2)CC1)C(F)(F)F
InChIInChI=1S/C13H21F3N2O2S/c14-13(15,16)21(19,20)18-8-6-12(7-9-18)17-10-11-4-2-1-3-5-11/h1-2,11-12,17H,3-10H2
InChIKeyAHAREYPYEZSTGI-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine 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-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine (CID 75387534) is N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine is O=S(=O)(N1CCC(NCC2CC=CCC2)CC1)C(F)(F)F.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine?
The InChIKey is AHAREYPYEZSTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2S/c14-13(15,16)21(19,20)18-8-6-12(7-9-18)17-10-11-4-2-1-3-5-11/h1-2,11-12,17H,3-10H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine has a molecular weight of 326.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(trifluoromethylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 75387534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).