1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one

C19H27FN2O3 — CID 45200973

IUPAC1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one
SMILESO=C1N(Cc2ccccc2F)CCCC1(O)CNC1CCC(O)CC1
InChIInChI=1S/C19H27FN2O3/c20-17-5-2-1-4-14(17)12-22-11-3-10-19(25,18(22)24)13-21-15-6-8-16(23)9-7-15/h1-2,4-5,15-16,21,23,25H,3,6-13H2
InChIKeyQHJSBYHRDORGPI-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.57
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one

1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one (PubChem CID 45200973) has the molecular formula C19H27FN2O3 and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one
PubChem CID45200973
Molecular FormulaC19H27FN2O3
Molecular Weight350.43 g/mol
Exact Mass350.20
IUPAC Name1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one
SMILESO=C1N(Cc2ccccc2F)CCCC1(O)CNC1CCC(O)CC1
InChIInChI=1S/C19H27FN2O3/c20-17-5-2-1-4-14(17)12-22-11-3-10-19(25,18(22)24)13-21-15-6-8-16(23)9-7-15/h1-2,4-5,15-16,21,23,25H,3,6-13H2
InChIKeyQHJSBYHRDORGPI-UHFFFAOYSA-N
XLogP1.57
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one (CID 45200973) is 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one is O=C1N(Cc2ccccc2F)CCCC1(O)CNC1CCC(O)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one?
The InChIKey is QHJSBYHRDORGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3/c20-17-5-2-1-4-14(17)12-22-11-3-10-19(25,18(22)24)13-21-15-6-8-16(23)9-7-15/h1-2,4-5,15-16,21,23,25H,3,6-13H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one?
1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one has a molecular weight of 350.43 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[(4-hydroxycyclohexyl)amino]methyl]piperidin-2-one is sourced from PubChem (CID 45200973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).