N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H19F3N2O — CID 81403823

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccco1
InChIInChI=1S/C13H19F3N2O/c1-10(12-3-2-8-19-12)17-11-4-6-18(7-5-11)9-13(14,15)16/h2-3,8,10-11,17H,4-7,9H2,1H3/t10-/m0/s1
InChIKeyJGGQIZWOOIDIJQ-JTQLQIEISA-N
MW276.30 g/mol
LogP2.96
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 81403823) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID81403823
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccco1
InChIInChI=1S/C13H19F3N2O/c1-10(12-3-2-8-19-12)17-11-4-6-18(7-5-11)9-13(14,15)16/h2-3,8,10-11,17H,4-7,9H2,1H3/t10-/m0/s1
InChIKeyJGGQIZWOOIDIJQ-JTQLQIEISA-N
XLogP2.96
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-1-methylpiperidin-4-amine
CID 81403796
N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81403840
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730440
N-[(1S)-1-(furan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81402923
N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43766678
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81369741
N-[1-(furan-2-yl)ethyl]-1-methylazepan-4-amine
CID 65070258
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
N-[(1R)-1-(furan-2-yl)ethyl]-4-propylcyclohexan-1-amine
CID 81403874
4-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83261936
N-(furan-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43754956
1-[4-[1-(furan-2-yl)ethylamino]piperidin-1-yl]-2-methoxyethanone
CID 43747621

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 81403823) is N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is C[C@H](NC1CCN(CC(F)(F)F)CC1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is JGGQIZWOOIDIJQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-10(12-3-2-8-19-12)17-11-4-6-18(7-5-11)9-13(14,15)16/h2-3,8,10-11,17H,4-7,9H2,1H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 276.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 81403823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).