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

C17H25FN2O2 — CID 143059702

IUPAC(3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
SMILESN[C@@H](CC(=O)N1CCCC(CCO)C1)Cc1ccccc1F
InChIInChI=1S/C17H25FN2O2/c18-16-6-2-1-5-14(16)10-15(19)11-17(22)20-8-3-4-13(12-20)7-9-21/h1-2,5-6,13,15,21H,3-4,7-12,19H2/t13?,15-/m1/s1
InChIKeyZFWBFGNBLKCTSN-AWKYBWMHSA-N
MW308.40 g/mol
LogP1.71
Rot. Bonds6

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

(3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one (PubChem CID 143059702) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
PubChem CID143059702
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name(3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one
SMILESN[C@@H](CC(=O)N1CCCC(CCO)C1)Cc1ccccc1F
InChIInChI=1S/C17H25FN2O2/c18-16-6-2-1-5-14(16)10-15(19)11-17(22)20-8-3-4-13(12-20)7-9-21/h1-2,5-6,13,15,21H,3-4,7-12,19H2/t13?,15-/m1/s1
InChIKeyZFWBFGNBLKCTSN-AWKYBWMHSA-N
XLogP1.71
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.71
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-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of (3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one (CID 143059702) is (3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for (3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for (3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one is N[C@@H](CC(=O)N1CCCC(CCO)C1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
The InChIKey is ZFWBFGNBLKCTSN-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H25FN2O2/c18-16-6-2-1-5-14(16)10-15(19)11-17(22)20-8-3-4-13(12-20)7-9-21/h1-2,5-6,13,15,21H,3-4,7-12,19H2/t13?,15-/m1/s1.
What are the key properties of (3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one?
(3R)-3-amino-4-(2-fluorophenyl)-1-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one has a molecular weight of 308.40 g/mol, XLogP of 1.71, 6 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-[3-(2-hydroxyethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 143059702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).