ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane

C18H37F3N2O — CID 170606813

IUPACethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane
SMILESCC.CCC.CN1CCC(OCCN2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2O.C3H8.C2H6/c1-17-5-4-12(10-17)19-9-8-18-6-2-11(3-7-18)13(14,15)16;1-3-2;1-2/h11-12H,2-10H2,1H3;3H2,1-2H3;1-2H3
InChIKeyIWVULXWCNFIDTB-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.42
Rot. Bonds4

About ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane

ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane (PubChem CID 170606813) has the molecular formula C18H37F3N2O and a molecular weight of 354.50 g/mol. Its IUPAC name is ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane.

Molecular Properties

Compound Nameethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane
PubChem CID170606813
Molecular FormulaC18H37F3N2O
Molecular Weight354.50 g/mol
Exact Mass354.29
IUPAC Nameethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane
SMILESCC.CCC.CN1CCC(OCCN2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H23F3N2O.C3H8.C2H6/c1-17-5-4-12(10-17)19-9-8-18-6-2-11(3-7-18)13(14,15)16;1-3-2;1-2/h11-12H,2-10H2,1H3;3H2,1-2H3;1-2H3
InChIKeyIWVULXWCNFIDTB-UHFFFAOYSA-N
XLogP4.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane 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 ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane?
The IUPAC name of ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane (CID 170606813) is ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane.
What is the SMILES notation for ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane?
The canonical SMILES for ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane is CC.CCC.CN1CCC(OCCN2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane?
The InChIKey is IWVULXWCNFIDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O.C3H8.C2H6/c1-17-5-4-12(10-17)19-9-8-18-6-2-11(3-7-18)13(14,15)16;1-3-2;1-2/h11-12H,2-10H2,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane?
ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane has a molecular weight of 354.50 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-(1-methylpyrrolidin-3-yl)oxyethyl]-4-(trifluoromethyl)piperidine;propane is sourced from PubChem (CID 170606813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).