N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C13H23F3N2O — CID 115901493

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC=C(C)COCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-11(2)9-19-8-5-17-12-3-6-18(7-4-12)10-13(14,15)16/h12,17H,1,3-10H2,2H3
InChIKeyQNXZLRWZMYSAMQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.20
Rot. Bonds7

About N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 115901493) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID115901493
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESC=C(C)COCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-11(2)9-19-8-5-17-12-3-6-18(7-4-12)10-13(14,15)16/h12,17H,1,3-10H2,2H3
InChIKeyQNXZLRWZMYSAMQ-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(1-fluoroprop-2-enoxy)ethyl]-N-methylpiperidin-3-amine
CID 169661443
5-fluoro-1-[2-(1-fluoroprop-2-enoxy)ethyl]-N-propan-2-ylpiperidin-3-amine
CID 169661446
1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 63828182
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103082726
1-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 103779211
N-[2-(2-methylpropoxy)ethyl]-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106458455
6,6,6-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]hexan-2-amine
CID 113586410
N-[2-(2,2-difluoroethoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 113773160
N-[2-(2-methylpropoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115713640
1,2,5-trimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-amine
CID 75515405
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103914528
2-(2-methylprop-2-enoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634499

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 115901493) is N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is C=C(C)COCCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is QNXZLRWZMYSAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-11(2)9-19-8-5-17-12-3-6-18(7-4-12)10-13(14,15)16/h12,17H,1,3-10H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 115901493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).