(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one

C15H21FN2O2 — CID 71048838

IUPAC(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one
SMILESNC1CCN(C(=O)[C@H](O)Cc2cccc(CF)c2)CC1
InChIInChI=1S/C15H21FN2O2/c16-10-12-3-1-2-11(8-12)9-14(19)15(20)18-6-4-13(17)5-7-18/h1-3,8,13-14,19H,4-7,9-10,17H2/t14-/m1/s1
InChIKeyPEZXNDXPRCFCHE-CQSZACIVSA-N
MW280.34 g/mol
LogP1.01
Rot. Bonds4

About (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one

(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one (PubChem CID 71048838) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one
PubChem CID71048838
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one
SMILESNC1CCN(C(=O)[C@H](O)Cc2cccc(CF)c2)CC1
InChIInChI=1S/C15H21FN2O2/c16-10-12-3-1-2-11(8-12)9-14(19)15(20)18-6-4-13(17)5-7-18/h1-3,8,13-14,19H,4-7,9-10,17H2/t14-/m1/s1
InChIKeyPEZXNDXPRCFCHE-CQSZACIVSA-N
XLogP1.01
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one?
The IUPAC name of (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one (CID 71048838) is (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one is NC1CCN(C(=O)[C@H](O)Cc2cccc(CF)c2)CC1.
What is the InChIKey of (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one?
The InChIKey is PEZXNDXPRCFCHE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21FN2O2/c16-10-12-3-1-2-11(8-12)9-14(19)15(20)18-6-4-13(17)5-7-18/h1-3,8,13-14,19H,4-7,9-10,17H2/t14-/m1/s1.
What are the key properties of (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one?
(2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one has a molecular weight of 280.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-aminopiperidin-1-yl)-3-[3-(fluoromethyl)phenyl]-2-hydroxypropan-1-one is sourced from PubChem (CID 71048838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).