1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine

C19H23F3N2O — CID 69158630

IUPAC1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1
InChIInChI=1S/C19H23F3N2O/c1-3-24-12-10-16(11-13-24)23(2)18-9-8-17(25-18)14-4-6-15(7-5-14)19(20,21)22/h4-9,16H,3,10-13H2,1-2H3
InChIKeyXAVZFXWMQRSPGQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.89
Rot. Bonds4

About 1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine

1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine (PubChem CID 69158630) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine
PubChem CID69158630
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine
SMILESCCN1CCC(N(C)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1
InChIInChI=1S/C19H23F3N2O/c1-3-24-12-10-16(11-13-24)23(2)18-9-8-17(25-18)14-4-6-15(7-5-14)19(20,21)22/h4-9,16H,3,10-13H2,1-2H3
InChIKeyXAVZFXWMQRSPGQ-UHFFFAOYSA-N
XLogP4.89
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine (CID 69158630) is 1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine is CCN1CCC(N(C)c2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1.
What is the InChIKey of 1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine?
The InChIKey is XAVZFXWMQRSPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-3-24-12-10-16(11-13-24)23(2)18-9-8-17(25-18)14-4-6-15(7-5-14)19(20,21)22/h4-9,16H,3,10-13H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine?
1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine has a molecular weight of 352.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]piperidin-4-amine is sourced from PubChem (CID 69158630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).