1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one

C12H23N3O2 — CID 82511505

IUPAC1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCNCC1)N1CCCC(O)C1
InChIInChI=1S/C12H23N3O2/c16-11-2-1-6-15(10-11)12(17)3-7-14-8-4-13-5-9-14/h11,13,16H,1-10H2
InChIKeyBMZFLPIZZJXTTB-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.74
Rot. Bonds3

About 1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one

1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one (PubChem CID 82511505) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
PubChem CID82511505
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCNCC1)N1CCCC(O)C1
InChIInChI=1S/C12H23N3O2/c16-11-2-1-6-15(10-11)12(17)3-7-14-8-4-13-5-9-14/h11,13,16H,1-10H2
InChIKeyBMZFLPIZZJXTTB-UHFFFAOYSA-N
XLogP-0.74
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylpiperidin-1-yl)-3-piperazin-1-ylpropan-1-one
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3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82511431
1-(3-hydroxypiperidin-1-yl)-5,5-dimethylhexan-1-one
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1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759
5-hydroxy-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
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1-[(3S)-3-hydroxypiperidin-1-yl]pent-4-en-1-one
CID 107224564
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107222956
1-(1-methylpiperidin-3-yl)-3-piperazin-1-ylpropan-1-one
CID 116918923
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
CID 154910756
3-(3-hydroxypiperidin-1-yl)-3-oxopropanoic acid
CID 62232255
1-(4-methylpiperazin-1-yl)-3-piperazin-1-ylpropan-1-one
CID 22120281

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one (CID 82511505) is 1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one is O=C(CCN1CCNCC1)N1CCCC(O)C1.
What is the InChIKey of 1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one?
The InChIKey is BMZFLPIZZJXTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c16-11-2-1-6-15(10-11)12(17)3-7-14-8-4-13-5-9-14/h11,13,16H,1-10H2.
What are the key properties of 1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one?
1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one has a molecular weight of 241.33 g/mol, XLogP of -0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypiperidin-1-yl)-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82511505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).