1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one

C13H18N2O2 — CID 107224305

IUPAC1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCC[C@H](O)C1
InChIInChI=1S/C13H18N2O2/c16-12-2-1-9-15(10-12)13(17)4-3-11-5-7-14-8-6-11/h5-8,12,16H,1-4,9-10H2/t12-/m0/s1
InChIKeyFUQDSJCHZFFFFW-LBPRGKRZSA-N
MW234.30 g/mol
LogP1.00
Rot. Bonds3

About 1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 107224305) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID107224305
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(CCc1ccncc1)N1CCC[C@H](O)C1
InChIInChI=1S/C13H18N2O2/c16-12-2-1-9-15(10-12)13(17)4-3-11-5-7-14-8-6-11/h5-8,12,16H,1-4,9-10H2/t12-/m0/s1
InChIKeyFUQDSJCHZFFFFW-LBPRGKRZSA-N
XLogP1.00
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 56821767
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303
methyl 2-methyl-2-[(3S)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]propanoate
CID 97061541
1-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96577310
1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 96514407
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95303199
3-(4-tert-butylphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561168
1-(3-methylpiperidin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026177
3-(1,3-benzodioxol-5-yl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107224750
1-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42099274
1-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95767945

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 107224305) is 1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one is O=C(CCc1ccncc1)N1CCC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is FUQDSJCHZFFFFW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12-2-1-9-15(10-12)13(17)4-3-11-5-7-14-8-6-11/h5-8,12,16H,1-4,9-10H2/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 107224305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).