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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Related Compounds

N-(2,2,2-trifluoroethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62557146
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-(furan-2-ylmethyl)propan-1-amine
CID 62570711
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 62569548
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
1-N-(furan-2-ylmethyl)-2-N-methyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62569923
N-(furan-2-ylmethyl)-2-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62557113
1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 2738628
(2R)-1,1,1-trifluoro-3-(furan-2-ylmethylamino)propan-2-ol
CID 7221655
N-(furan-2-ylmethyl)-2-methylbutan-1-amine
CID 43200420
1-N-(furan-2-ylmethyl)-4-methylpentane-1,2-diamine
CID 61150201
N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81403823
N-(furan-2-ylmethyl)-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180875

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).