N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H17F3N2O — CID 43754956

IUPACN-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ccco2)CC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)9-17-5-3-10(4-6-17)16-8-11-2-1-7-18-11/h1-2,7,10,16H,3-6,8-9H2
InChIKeyHLHUAABUXIFMAU-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.40
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43754956) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43754956
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2ccco2)CC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)9-17-5-3-10(4-6-17)16-8-11-2-1-7-18-11/h1-2,7,10,16H,3-6,8-9H2
InChIKeyHLHUAABUXIFMAU-UHFFFAOYSA-N
XLogP2.40
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 113224447
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692
1-(cyclopropylmethyl)-N-(furan-2-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 115618478
N-[(2-bromophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61402160
N-[(4-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772111
N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81403823
N-(furan-2-ylmethyl)-1-methylpiperidin-4-amine;oxalic acid
CID 17053047
N-[(3-methylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43768782
N-(furan-2-ylmethyl)-1-[(2-methylsulfonylphenyl)methyl]piperidin-4-amine
CID 24732704
N-[(3-methyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63306014
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
N-[(4-methylsulfanylphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107084

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43754956) is N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is HLHUAABUXIFMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)9-17-5-3-10(4-6-17)16-8-11-2-1-7-18-11/h1-2,7,10,16H,3-6,8-9H2.
What are the key properties of N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 262.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43754956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).