1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride

C16H29Cl2F3N2O — CID 156735062

IUPAC1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride
SMILESCl.Cl.FC(F)(F)C1(COCC2CCCN(C3CCNCC3)C2)CC1
InChIInChI=1S/C16H27F3N2O.2ClH/c17-16(18,19)15(5-6-15)12-22-11-13-2-1-9-21(10-13)14-3-7-20-8-4-14;;/h13-14,20H,1-12H2;2*1H
InChIKeyRHDFBWCRJSZPLE-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.65
Rot. Bonds5

About 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride

1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride (PubChem CID 156735062) has the molecular formula C16H29Cl2F3N2O and a molecular weight of 393.32 g/mol. Its IUPAC name is 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride
PubChem CID156735062
Molecular FormulaC16H29Cl2F3N2O
Molecular Weight393.32 g/mol
Exact Mass392.16
IUPAC Name1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride
SMILESCl.Cl.FC(F)(F)C1(COCC2CCCN(C3CCNCC3)C2)CC1
InChIInChI=1S/C16H27F3N2O.2ClH/c17-16(18,19)15(5-6-15)12-22-11-13-2-1-9-21(10-13)14-3-7-20-8-4-14;;/h13-14,20H,1-12H2;2*1H
InChIKeyRHDFBWCRJSZPLE-UHFFFAOYSA-N
XLogP3.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;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 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride?
The IUPAC name of 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride (CID 156735062) is 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride.
What is the SMILES notation for 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride?
The canonical SMILES for 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride is Cl.Cl.FC(F)(F)C1(COCC2CCCN(C3CCNCC3)C2)CC1.
What is the InChIKey of 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride?
The InChIKey is RHDFBWCRJSZPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O.2ClH/c17-16(18,19)15(5-6-15)12-22-11-13-2-1-9-21(10-13)14-3-7-20-8-4-14;;/h13-14,20H,1-12H2;2*1H.
What are the key properties of 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride?
1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride has a molecular weight of 393.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-3-[[1-(trifluoromethyl)cyclopropyl]methoxymethyl]piperidine;dihydrochloride is sourced from PubChem (CID 156735062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).