N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H26F3N3O — CID 43769528

IUPACN-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C14H26F3N3O/c15-14(16,17)12-20-6-2-13(3-7-20)18-4-1-5-19-8-10-21-11-9-19/h13,18H,1-12H2
InChIKeyYBIIHUXDGOCCBX-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.33
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43769528) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43769528
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCCN2CCOCC2)CC1
InChIInChI=1S/C14H26F3N3O/c15-14(16,17)12-20-6-2-13(3-7-20)18-4-1-5-19-8-10-21-11-9-19/h13,18H,1-12H2
InChIKeyYBIIHUXDGOCCBX-UHFFFAOYSA-N
XLogP1.33
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43769528) is N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCCCN2CCOCC2)CC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is YBIIHUXDGOCCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c15-14(16,17)12-20-6-2-13(3-7-20)18-4-1-5-19-8-10-21-11-9-19/h13,18H,1-12H2.
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 309.38 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43769528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).