3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one

C8H16N2O2 — CID 19867648

IUPAC3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCO)CC1
InChIInChI=1S/C8H16N2O2/c1-9-3-5-10(6-4-9)8(12)2-7-11/h11H,2-7H2,1H3
InChIKeyJQPXJSJHGAGJHF-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.86
Rot. Bonds2

About 3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one

3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 19867648) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID19867648
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)CCO)CC1
InChIInChI=1S/C8H16N2O2/c1-9-3-5-10(6-4-9)8(12)2-7-11/h11H,2-7H2,1H3
InChIKeyJQPXJSJHGAGJHF-UHFFFAOYSA-N
XLogP-0.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethoxy-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 53621102
1-[4-(2-Hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 56802477
3-Ethoxy-1-(4-methylpiperazinyl)propan-1-one
CID 2972494
4-(3-Hydroxypropyl)piperazine-1-carbaldehyde
CID 22490031
1-(4-(3-Hydroxypropyl)piperazin-1-yl)-2,2-dimethylpropan-1-one
CID 60499068
3-Methoxy-1-(2,4,6-trimethylpiperazin-1-yl)propan-1-one
CID 132283777
3-Hydroxy-2-methyl-1-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]propan-1-one
CID 143767640
3,3,3-Trifluoro-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 110909596
1-(4-(3-Hydroxypropyl)piperazin-1-yl)ethan-1-one
CID 11446771
1-[4-(4-Hydroxybutyl)piperazin-1-yl]propan-1-one
CID 18714916
1-[4-(2-Hydroxyethyl)piperazin-1-yl]propan-1-one
CID 18715899
N,N-dibutyl-3-hydroxypropanamide
CID 19735723

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one (CID 19867648) is 3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)CCO)CC1.
What is the InChIKey of 3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is JQPXJSJHGAGJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-3-5-10(6-4-9)8(12)2-7-11/h11H,2-7H2,1H3.
What are the key properties of 3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one?
3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 172.23 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 19867648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).