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

C17H20F2N4 — CID 53322825

IUPAC(1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20F2N4/c18-14-2-3-15(19)13(10-14)11-16(20)12-4-8-23(9-5-12)17-21-6-1-7-22-17/h1-3,6-7,10,12,16H,4-5,8-9,11,20H2/t16-/m1/s1
InChIKeyAXNVOZYZWQKYNZ-MRXNPFEDSA-N
MW318.37 g/mol
LogP2.54
Rot. Bonds4

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

(1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine (PubChem CID 53322825) has the molecular formula C17H20F2N4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine
PubChem CID53322825
Molecular FormulaC17H20F2N4
Molecular Weight318.37 g/mol
Exact Mass318.17
IUPAC Name(1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine
SMILESN[C@H](Cc1cc(F)ccc1F)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20F2N4/c18-14-2-3-15(19)13(10-14)11-16(20)12-4-8-23(9-5-12)17-21-6-1-7-22-17/h1-3,6-7,10,12,16H,4-5,8-9,11,20H2/t16-/m1/s1
InChIKeyAXNVOZYZWQKYNZ-MRXNPFEDSA-N
XLogP2.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine?
The IUPAC name of (1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine (CID 53322825) is (1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine.
What is the SMILES notation for (1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine?
The canonical SMILES for (1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine is N[C@H](Cc1cc(F)ccc1F)C1CCN(c2ncccn2)CC1.
What is the InChIKey of (1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine?
The InChIKey is AXNVOZYZWQKYNZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20F2N4/c18-14-2-3-15(19)13(10-14)11-16(20)12-4-8-23(9-5-12)17-21-6-1-7-22-17/h1-3,6-7,10,12,16H,4-5,8-9,11,20H2/t16-/m1/s1.
What are the key properties of (1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine?
(1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine has a molecular weight of 318.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(2,5-difluorophenyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 53322825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).