(1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine

C20H25F2N3 — CID 53321499

IUPAC(1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine
SMILESCc1ccc(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)c(C)n1
InChIInChI=1S/C20H25F2N3/c1-13-3-6-20(14(2)24-13)25-9-7-15(8-10-25)19(23)12-16-11-17(21)4-5-18(16)22/h3-6,11,15,19H,7-10,12,23H2,1-2H3/t19-/m1/s1
InChIKeyOEBLNQRBMMRVDK-LJQANCHMSA-N
MW345.44 g/mol
LogP3.76
Rot. Bonds4

About (1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine

(1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine (PubChem CID 53321499) has the molecular formula C20H25F2N3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine
PubChem CID53321499
Molecular FormulaC20H25F2N3
Molecular Weight345.44 g/mol
Exact Mass345.20
IUPAC Name(1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine
SMILESCc1ccc(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)c(C)n1
InChIInChI=1S/C20H25F2N3/c1-13-3-6-20(14(2)24-13)25-9-7-15(8-10-25)19(23)12-16-11-17(21)4-5-18(16)22/h3-6,11,15,19H,7-10,12,23H2,1-2H3/t19-/m1/s1
InChIKeyOEBLNQRBMMRVDK-LJQANCHMSA-N
XLogP3.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine?
The IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine (CID 53321499) is (1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for (1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine?
The canonical SMILES for (1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine is Cc1ccc(N2CCC([C@H](N)Cc3cc(F)ccc3F)CC2)c(C)n1.
What is the InChIKey of (1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine?
The InChIKey is OEBLNQRBMMRVDK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25F2N3/c1-13-3-6-20(14(2)24-13)25-9-7-15(8-10-25)19(23)12-16-11-17(21)4-5-18(16)22/h3-6,11,15,19H,7-10,12,23H2,1-2H3/t19-/m1/s1.
What are the key properties of (1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine?
(1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine has a molecular weight of 345.44 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2,5-difluorophenyl)-1-[1-(2,6-dimethyl-3-pyridinyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 53321499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).