(3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one

C16H23FN2O2 — CID 11858102

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one
SMILESN[C@@H](CC(=O)N1CCC(CO)CC1)Cc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c17-15-4-2-1-3-13(15)9-14(18)10-16(21)19-7-5-12(11-20)6-8-19/h1-4,12,14,20H,5-11,18H2/t14-/m1/s1
InChIKeyZAFNVUZHVGTMTK-CQSZACIVSA-N
MW294.37 g/mol
LogP1.32
Rot. Bonds5

About (3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one

(3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one (PubChem CID 11858102) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one
PubChem CID11858102
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one
SMILESN[C@@H](CC(=O)N1CCC(CO)CC1)Cc1ccccc1F
InChIInChI=1S/C16H23FN2O2/c17-15-4-2-1-3-13(15)9-14(18)10-16(21)19-7-5-12(11-20)6-8-19/h1-4,12,14,20H,5-11,18H2/t14-/m1/s1
InChIKeyZAFNVUZHVGTMTK-CQSZACIVSA-N
XLogP1.32
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one (CID 11858102) is (3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one is N[C@@H](CC(=O)N1CCC(CO)CC1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one?
The InChIKey is ZAFNVUZHVGTMTK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-15-4-2-1-3-13(15)9-14(18)10-16(21)19-7-5-12(11-20)6-8-19/h1-4,12,14,20H,5-11,18H2/t14-/m1/s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one?
(3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one has a molecular weight of 294.37 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(2-fluorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 11858102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).