N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

C14H22F3N3O — CID 62557140

IUPACN-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CNCc1ccco1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H22F3N3O/c1-12(9-18-10-13-3-2-8-21-13)20-6-4-19(5-7-20)11-14(15,16)17/h2-3,8,12,18H,4-7,9-11H2,1H3
InChIKeyRBNJTHXDUWKROG-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.94
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine

N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (PubChem CID 62557140) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
PubChem CID62557140
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CNCc1ccco1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H22F3N3O/c1-12(9-18-10-13-3-2-8-21-13)20-6-4-19(5-7-20)11-14(15,16)17/h2-3,8,12,18H,4-7,9-11H2,1H3
InChIKeyRBNJTHXDUWKROG-UHFFFAOYSA-N
XLogP1.94
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine (CID 62557140) is N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is CC(CNCc1ccco1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is RBNJTHXDUWKROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-12(9-18-10-13-3-2-8-21-13)20-6-4-19(5-7-20)11-14(15,16)17/h2-3,8,12,18H,4-7,9-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine?
N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62557140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).