N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C14H27F3N2O — CID 43770140

IUPACN-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)COCCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O/c1-12(2)10-20-9-3-6-18-13-4-7-19(8-5-13)11-14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyJUCQRFKCGVSASY-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.67
Rot. Bonds8

About N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43770140) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43770140
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC NameN-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)COCCCNC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2O/c1-12(2)10-20-9-3-6-18-13-4-7-19(8-5-13)11-14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyJUCQRFKCGVSASY-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43770140) is N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(C)COCCCNC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is JUCQRFKCGVSASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-12(2)10-20-9-3-6-18-13-4-7-19(8-5-13)11-14(15,16)17/h12-13,18H,3-11H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 296.38 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43770140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).