1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one

C13H26N2O3 — CID 56802477

IUPAC1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(O)CN1CCN(C(=O)CCOC(C)C)CC1
InChIInChI=1S/C13H26N2O3/c1-11(2)18-9-4-13(17)15-7-5-14(6-8-15)10-12(3)16/h11-12,16H,4-10H2,1-3H3
InChIKeyNYPATRCTEWNCAN-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.33
Rot. Bonds6

About 1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one

1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one (PubChem CID 56802477) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
PubChem CID56802477
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCC(O)CN1CCN(C(=O)CCOC(C)C)CC1
InChIInChI=1S/C13H26N2O3/c1-11(2)18-9-4-13(17)15-7-5-14(6-8-15)10-12(3)16/h11-12,16H,4-10H2,1-3H3
InChIKeyNYPATRCTEWNCAN-UHFFFAOYSA-N
XLogP0.33
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 19867648
1-[4-(3-Ethoxy-2-hydroxypropyl)piperazin-1-yl]butan-1-one
CID 53600628
3-Ethoxy-1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 53621102
3-Ethoxy-1-(4-methylpiperazinyl)propan-1-one
CID 2972494
4-Morpholin-4-YL-4-oxobutan-2-OL
CID 16770031
(2S)-2-hydroxy-1-(4-methylpiperazin-1-yl)propan-1-one
CID 92860491
1-(4-Acetyl-1-piperazinyl)-3-butoxy-2-propanol
CID 644381
3-Ethoxy-1-[4-(2-hydroxy-3,3-dimethylbutyl)piperazin-1-yl]propan-1-one
CID 53619020
1-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 56781880
1-(4-Methyl-1-piperazinyl)-1-oxo-2-propanol
CID 550878
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 43417409
1-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 53610843

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The IUPAC name of 1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one (CID 56802477) is 1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one is CC(O)CN1CCN(C(=O)CCOC(C)C)CC1.
What is the InChIKey of 1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The InChIKey is NYPATRCTEWNCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(2)18-9-4-13(17)15-7-5-14(6-8-15)10-12(3)16/h11-12,16H,4-10H2,1-3H3.
What are the key properties of 1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one has a molecular weight of 258.36 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-propan-2-yloxypropan-1-one is sourced from PubChem (CID 56802477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).