5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one

C15H22N2O2 — CID 154772268

IUPAC5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one
SMILESCN1CC(N[C@H](CCO)c2ccccc2)CCC1=O
InChIInChI=1S/C15H22N2O2/c1-17-11-13(7-8-15(17)19)16-14(9-10-18)12-5-3-2-4-6-12/h2-6,13-14,16,18H,7-11H2,1H3/t13?,14-/m1/s1
InChIKeyKYBVGGNDCHPHFX-ARLHGKGLSA-N
MW262.35 g/mol
LogP1.32
Rot. Bonds5

About 5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one

5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one (PubChem CID 154772268) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one
PubChem CID154772268
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one
SMILESCN1CC(N[C@H](CCO)c2ccccc2)CCC1=O
InChIInChI=1S/C15H22N2O2/c1-17-11-13(7-8-15(17)19)16-14(9-10-18)12-5-3-2-4-6-12/h2-6,13-14,16,18H,7-11H2,1H3/t13?,14-/m1/s1
InChIKeyKYBVGGNDCHPHFX-ARLHGKGLSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one (CID 154772268) is 5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one is CN1CC(N[C@H](CCO)c2ccccc2)CCC1=O.
What is the InChIKey of 5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one?
The InChIKey is KYBVGGNDCHPHFX-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-11-13(7-8-15(17)19)16-14(9-10-18)12-5-3-2-4-6-12/h2-6,13-14,16,18H,7-11H2,1H3/t13?,14-/m1/s1.
What are the key properties of 5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one?
5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one has a molecular weight of 262.35 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 5-[[(1R)-3-hydroxy-1-phenylpropyl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 154772268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).