2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one

C14H20N2O2 — CID 82086871

IUPAC2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(CC(O)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-11-2-4-12(5-3-11)10-13(17)14(18)16-8-6-15-7-9-16/h2-5,13,15,17H,6-10H2,1H3
InChIKeyBPVIPGOQBWQHKB-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.33
Rot. Bonds3

About 2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one

2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one (PubChem CID 82086871) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one
PubChem CID82086871
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one
SMILESCc1ccc(CC(O)C(=O)N2CCNCC2)cc1
InChIInChI=1S/C14H20N2O2/c1-11-2-4-12(5-3-11)10-13(17)14(18)16-8-6-15-7-9-16/h2-5,13,15,17H,6-10H2,1H3
InChIKeyBPVIPGOQBWQHKB-UHFFFAOYSA-N
XLogP0.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-2-hydroxy-1-piperazin-1-ylpropan-1-one
CID 82095210
3-(4-bromophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82095106
4-(4-methylphenyl)-1-piperazin-1-ylbutan-1-one
CID 82086276
4-(4-methylphenyl)-3-piperazin-1-ylbutanoic acid
CID 82352205
(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one
CID 15172767
2-methyl-3-(4-methylphenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120994474
2-hydroxy-3-(4-piperazin-1-ylphenyl)propanoic acid
CID 67735891
2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
3-phenyl-1-piperazin-1-yl-2-sulfanylpropan-1-one
CID 82511771
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
(2R)-2-hydroxy-1-piperazin-1-ylpentane-1,4-dione
CID 58010631

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one (CID 82086871) is 2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one is Cc1ccc(CC(O)C(=O)N2CCNCC2)cc1.
What is the InChIKey of 2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is BPVIPGOQBWQHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-2-4-12(5-3-11)10-13(17)14(18)16-8-6-15-7-9-16/h2-5,13,15,17H,6-10H2,1H3.
What are the key properties of 2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one?
2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(4-methylphenyl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82086871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).