(1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine

C18H21F2N3 — CID 53325399

IUPAC(1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H21F2N3/c19-15-1-2-17(20)14(11-15)12-18(21)13-5-9-23(10-6-13)16-3-7-22-8-4-16/h1-4,7-8,11,13,18H,5-6,9-10,12,21H2/t18-/m1/s1
InChIKeyBDKLBVJOAHIRMK-GOSISDBHSA-N
MW317.38 g/mol
LogP3.15
Rot. Bonds4

About (1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine

(1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine (PubChem CID 53325399) has the molecular formula C18H21F2N3 and a molecular weight of 317.38 g/mol. Its IUPAC name is (1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine
PubChem CID53325399
Molecular FormulaC18H21F2N3
Molecular Weight317.38 g/mol
Exact Mass317.17
IUPAC Name(1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H21F2N3/c19-15-1-2-17(20)14(11-15)12-18(21)13-5-9-23(10-6-13)16-3-7-22-8-4-16/h1-4,7-8,11,13,18H,5-6,9-10,12,21H2/t18-/m1/s1
InChIKeyBDKLBVJOAHIRMK-GOSISDBHSA-N
XLogP3.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine?
The IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine (CID 53325399) is (1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine.
What is the SMILES notation for (1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine?
The canonical SMILES for (1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine is N[C@H](Cc1cc(F)ccc1F)C1CCN(c2ccncc2)CC1.
What is the InChIKey of (1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine?
The InChIKey is BDKLBVJOAHIRMK-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21F2N3/c19-15-1-2-17(20)14(11-15)12-18(21)13-5-9-23(10-6-13)16-3-7-22-8-4-16/h1-4,7-8,11,13,18H,5-6,9-10,12,21H2/t18-/m1/s1.
What are the key properties of (1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine?
(1R)-2-(2,5-difluorophenyl)-1-(1-pyridin-4-ylpiperidin-4-yl)ethanamine has a molecular weight of 317.38 g/mol, XLogP of 3.15, 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-pyridin-4-ylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 53325399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).