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

C19H23F3N2O — CID 58788218

IUPAC1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1
InChIInChI=1S/C19H23F3N2O/c1-2-24-11-9-16(10-12-24)23-13-17-7-8-18(25-17)14-3-5-15(6-4-14)19(20,21)22/h3-8,16,23H,2,9-13H2,1H3
InChIKeyKVSHDKQNSRJCPG-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.54
Rot. Bonds5

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

1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine (PubChem CID 58788218) has the molecular formula C19H23F3N2O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
PubChem CID58788218
Molecular FormulaC19H23F3N2O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1
InChIInChI=1S/C19H23F3N2O/c1-2-24-11-9-16(10-12-24)23-13-17-7-8-18(25-17)14-3-5-15(6-4-14)19(20,21)22/h3-8,16,23H,2,9-13H2,1H3
InChIKeyKVSHDKQNSRJCPG-UHFFFAOYSA-N
XLogP4.54
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine
CID 17159461
1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
CID 87736787
1-ethyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidin-4-amine
CID 60691616
1-benzyl-N-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-4-amine
CID 17159324
N,N-dimethyl-1-[1-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]pyrrolidin-3-yl]methanamine
CID 165425998
(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639511
N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 79778825
ethyl 4-[5-[(cyclopropylamino)methyl]furan-2-yl]benzoate
CID 4722679
1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 57299449
N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 54955493
5-[[(1-propylpiperidin-4-yl)amino]methyl]furan-2-carbonitrile
CID 115651654
(3S)-1,1-dioxo-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]thiolan-3-amine
CID 42279062

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine (CID 58788218) is 1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine is CCN1CCC(NCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)CC1.
What is the InChIKey of 1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine?
The InChIKey is KVSHDKQNSRJCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O/c1-2-24-11-9-16(10-12-24)23-13-17-7-8-18(25-17)14-3-5-15(6-4-14)19(20,21)22/h3-8,16,23H,2,9-13H2,1H3.
What are the key properties of 1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine?
1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine has a molecular weight of 352.40 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 58788218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).