6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine

C10H19F3N2O — CID 61490307

IUPAC6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
SMILESCC1CCC(N)CN1CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-8-2-3-9(14)6-15(8)4-5-16-7-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyDAPCCESPPMQIMQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds4

About 6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine

6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine (PubChem CID 61490307) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
PubChem CID61490307
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine
SMILESCC1CCC(N)CN1CCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-8-2-3-9(14)6-15(8)4-5-16-7-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyDAPCCESPPMQIMQ-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
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 6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
The IUPAC name of 6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine (CID 61490307) is 6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for 6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
The canonical SMILES for 6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine is CC1CCC(N)CN1CCOCC(F)(F)F.
What is the InChIKey of 6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
The InChIKey is DAPCCESPPMQIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8-2-3-9(14)6-15(8)4-5-16-7-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine?
6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 61490307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).