2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine

C18H28F3N3 — CID 151092475

IUPAC2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine
SMILESCC(C)(C)CNCCN1CCC(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H28F3N3/c1-17(2,3)13-22-9-12-24-10-7-14(8-11-24)15-5-4-6-16(23-15)18(19,20)21/h4-6,14,22H,7-13H2,1-3H3
InChIKeyMMKOFRBFFNBGDX-UHFFFAOYSA-N
MW343.44 g/mol
LogP3.92
Rot. Bonds5

About 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine

2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine (PubChem CID 151092475) has the molecular formula C18H28F3N3 and a molecular weight of 343.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine
PubChem CID151092475
Molecular FormulaC18H28F3N3
Molecular Weight343.44 g/mol
Exact Mass343.22
IUPAC Name2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine
SMILESCC(C)(C)CNCCN1CCC(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C18H28F3N3/c1-17(2,3)13-22-9-12-24-10-7-14(8-11-24)15-5-4-6-16(23-15)18(19,20)21/h4-6,14,22H,7-13H2,1-3H3
InChIKeyMMKOFRBFFNBGDX-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 53.92
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 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine (CID 151092475) is 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine is CC(C)(C)CNCCN1CCC(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine?
The InChIKey is MMKOFRBFFNBGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F3N3/c1-17(2,3)13-22-9-12-24-10-7-14(8-11-24)15-5-4-6-16(23-15)18(19,20)21/h4-6,14,22H,7-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine?
2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine has a molecular weight of 343.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]ethyl]propan-1-amine is sourced from PubChem (CID 151092475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).