1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride

C11H16Cl2F3N3 — CID 67243169

IUPAC1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C11H14F3N3.2ClH/c12-11(13,14)8-1-4-16-10(7-8)17-5-2-9(15)3-6-17;;/h1,4,7,9H,2-3,5-6,15H2;2*1H
InChIKeyHBUONEKWOHBITM-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.87
Rot. Bonds1

About 1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride

1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride (PubChem CID 67243169) has the molecular formula C11H16Cl2F3N3 and a molecular weight of 318.17 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
PubChem CID67243169
Molecular FormulaC11H16Cl2F3N3
Molecular Weight318.17 g/mol
Exact Mass317.07
IUPAC Name1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/C11H14F3N3.2ClH/c12-11(13,14)8-1-4-16-10(7-8)17-5-2-9(15)3-6-17;;/h1,4,7,9H,2-3,5-6,15H2;2*1H
InChIKeyHBUONEKWOHBITM-UHFFFAOYSA-N
XLogP2.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride (CID 67243169) is 1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(c2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride?
The InChIKey is HBUONEKWOHBITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3.2ClH/c12-11(13,14)8-1-4-16-10(7-8)17-5-2-9(15)3-6-17;;/h1,4,7,9H,2-3,5-6,15H2;2*1H.
What are the key properties of 1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride?
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride has a molecular weight of 318.17 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 67243169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).