6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine

C14H21F3N4O — CID 141419199

IUPAC6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCN(C)C1CCN(c2ccc(N)c(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O/c1-20(2)10-5-7-21(8-6-10)12-4-3-11(18)13(19-12)22-9-14(15,16)17/h3-4,10H,5-9,18H2,1-2H3
InChIKeyRCQSMVXTTXNJFU-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.14
Rot. Bonds4

About 6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine

6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 141419199) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID141419199
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCN(C)C1CCN(c2ccc(N)c(OCC(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O/c1-20(2)10-5-7-21(8-6-10)12-4-3-11(18)13(19-12)22-9-14(15,16)17/h3-4,10H,5-9,18H2,1-2H3
InChIKeyRCQSMVXTTXNJFU-UHFFFAOYSA-N
XLogP2.14
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 141419199) is 6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for 6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for 6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine is CN(C)C1CCN(c2ccc(N)c(OCC(F)(F)F)n2)CC1.
What is the InChIKey of 6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is RCQSMVXTTXNJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-20(2)10-5-7-21(8-6-10)12-4-3-11(18)13(19-12)22-9-14(15,16)17/h3-4,10H,5-9,18H2,1-2H3.
What are the key properties of 6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine?
6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 318.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 141419199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).