2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride

C14H26Cl2F3NO2 — CID 142749422

IUPAC2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride
SMILESCCCCC(CCN1CCC(C(F)(F)F)CC1)C(=O)O.Cl.Cl
InChIInChI=1S/C14H24F3NO2.2ClH/c1-2-3-4-11(13(19)20)5-8-18-9-6-12(7-10-18)14(15,16)17;;/h11-12H,2-10H2,1H3,(H,19,20);2*1H
InChIKeyIRODACKVSYEOIW-UHFFFAOYSA-N
MW368.27 g/mol
LogP4.39
Rot. Bonds7

About 2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride

2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride (PubChem CID 142749422) has the molecular formula C14H26Cl2F3NO2 and a molecular weight of 368.27 g/mol. Its IUPAC name is 2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride
PubChem CID142749422
Molecular FormulaC14H26Cl2F3NO2
Molecular Weight368.27 g/mol
Exact Mass367.13
IUPAC Name2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride
SMILESCCCCC(CCN1CCC(C(F)(F)F)CC1)C(=O)O.Cl.Cl
InChIInChI=1S/C14H24F3NO2.2ClH/c1-2-3-4-11(13(19)20)5-8-18-9-6-12(7-10-18)14(15,16)17;;/h11-12H,2-10H2,1H3,(H,19,20);2*1H
InChIKeyIRODACKVSYEOIW-UHFFFAOYSA-N
XLogP4.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride 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 2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride?
The IUPAC name of 2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride (CID 142749422) is 2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride.
What is the SMILES notation for 2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride?
The canonical SMILES for 2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride is CCCCC(CCN1CCC(C(F)(F)F)CC1)C(=O)O.Cl.Cl.
What is the InChIKey of 2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride?
The InChIKey is IRODACKVSYEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2.2ClH/c1-2-3-4-11(13(19)20)5-8-18-9-6-12(7-10-18)14(15,16)17;;/h11-12H,2-10H2,1H3,(H,19,20);2*1H.
What are the key properties of 2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride?
2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride has a molecular weight of 368.27 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]hexanoic acid;dihydrochloride is sourced from PubChem (CID 142749422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).