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

C13H25F3N2O — CID 61490713

IUPACN-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
SMILESCCCNC1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-2-6-17-12-4-8-18(9-5-12)7-3-10-19-11-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyBCKJSBGJYJKEFS-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.42
Rot. Bonds8

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

N-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine (PubChem CID 61490713) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine.

Molecular Properties

Compound NameN-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
PubChem CID61490713
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC NameN-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine
SMILESCCCNC1CCN(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C13H25F3N2O/c1-2-6-17-12-4-8-18(9-5-12)7-3-10-19-11-13(14,15)16/h12,17H,2-11H2,1H3
InChIKeyBCKJSBGJYJKEFS-UHFFFAOYSA-N
XLogP2.42
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.42
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-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The IUPAC name of N-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine (CID 61490713) is N-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine.
What is the SMILES notation for N-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The canonical SMILES for N-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine is CCCNC1CCN(CCCOCC(F)(F)F)CC1.
What is the InChIKey of N-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
The InChIKey is BCKJSBGJYJKEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-2-6-17-12-4-8-18(9-5-12)7-3-10-19-11-13(14,15)16/h12,17H,2-11H2,1H3.
What are the key properties of N-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine?
N-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-amine is sourced from PubChem (CID 61490713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).