(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one

C17H25FN2O2 — CID 25366923

IUPAC(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
SMILESCC(C)CNC[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H25FN2O2/c1-13(2)10-19-12-17(22)8-3-9-20(16(17)21)11-14-4-6-15(18)7-5-14/h4-7,13,19,22H,3,8-12H2,1-2H3/t17-/m0/s1
InChIKeyCSDCGQUIZFMFEH-KRWDZBQOSA-N
MW308.40 g/mol
LogP1.92
Rot. Bonds6

About (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one

(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one (PubChem CID 25366923) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
PubChem CID25366923
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one
SMILESCC(C)CNC[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H25FN2O2/c1-13(2)10-19-12-17(22)8-3-9-20(16(17)21)11-14-4-6-15(18)7-5-14/h4-7,13,19,22H,3,8-12H2,1-2H3/t17-/m0/s1
InChIKeyCSDCGQUIZFMFEH-KRWDZBQOSA-N
XLogP1.92
TPSA52.57 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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
The IUPAC name of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one (CID 25366923) is (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one.
What is the SMILES notation for (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
The canonical SMILES for (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one is CC(C)CNC[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
The InChIKey is CSDCGQUIZFMFEH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-13(2)10-19-12-17(22)8-3-9-20(16(17)21)11-14-4-6-15(18)7-5-14/h4-7,13,19,22H,3,8-12H2,1-2H3/t17-/m0/s1.
What are the key properties of (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one?
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one has a molecular weight of 308.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2-methylpropylamino)methyl]piperidin-2-one is sourced from PubChem (CID 25366923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).