(2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one

C17H23FN2O — CID 97309808

IUPAC(2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
SMILESCC[C@H](C(=O)N1CC=C(c2ccccc2F)CC1)N(C)C
InChIInChI=1S/C17H23FN2O/c1-4-16(19(2)3)17(21)20-11-9-13(10-12-20)14-7-5-6-8-15(14)18/h5-9,16H,4,10-12H2,1-3H3/t16-/m1/s1
InChIKeyRZMSQDYDQRDYRY-MRXNPFEDSA-N
MW290.38 g/mol
LogP2.78
Rot. Bonds4

About (2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one

(2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one (PubChem CID 97309808) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
PubChem CID97309808
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name(2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
SMILESCC[C@H](C(=O)N1CC=C(c2ccccc2F)CC1)N(C)C
InChIInChI=1S/C17H23FN2O/c1-4-16(19(2)3)17(21)20-11-9-13(10-12-20)14-7-5-6-8-15(14)18/h5-9,16H,4,10-12H2,1-3H3/t16-/m1/s1
InChIKeyRZMSQDYDQRDYRY-MRXNPFEDSA-N
XLogP2.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The IUPAC name of (2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one (CID 97309808) is (2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one.
What is the SMILES notation for (2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The canonical SMILES for (2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one is CC[C@H](C(=O)N1CC=C(c2ccccc2F)CC1)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
The InChIKey is RZMSQDYDQRDYRY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-4-16(19(2)3)17(21)20-11-9-13(10-12-20)14-7-5-6-8-15(14)18/h5-9,16H,4,10-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one?
(2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one has a molecular weight of 290.38 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-1-[4-(2-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-one is sourced from PubChem (CID 97309808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).