N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

C14H25F3N2O — CID 104746602

IUPACN-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESCCNC(CN1CCCC(C(F)(F)F)C1)C1CCOC1
InChIInChI=1S/C14H25F3N2O/c1-2-18-13(11-5-7-20-10-11)9-19-6-3-4-12(8-19)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyDMUMGWOVQFPKGR-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.28
Rot. Bonds5

About N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine

N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (PubChem CID 104746602) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
PubChem CID104746602
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
SMILESCCNC(CN1CCCC(C(F)(F)F)C1)C1CCOC1
InChIInChI=1S/C14H25F3N2O/c1-2-18-13(11-5-7-20-10-11)9-19-6-3-4-12(8-19)14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyDMUMGWOVQFPKGR-UHFFFAOYSA-N
XLogP2.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine (CID 104746602) is N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is CCNC(CN1CCCC(C(F)(F)F)C1)C1CCOC1.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
The InChIKey is DMUMGWOVQFPKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-2-18-13(11-5-7-20-10-11)9-19-6-3-4-12(8-19)14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine?
N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine has a molecular weight of 294.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 104746602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).