[4-(2-hydroxypropyl)piperazin-1-yl] acetate

C9H18N2O3 — CID 70499003

IUPAC[4-(2-hydroxypropyl)piperazin-1-yl] acetate
SMILESCC(=O)ON1CCN(CC(C)O)CC1
InChIInChI=1S/C9H18N2O3/c1-8(12)7-10-3-5-11(6-4-10)14-9(2)13/h8,12H,3-7H2,1-2H3
InChIKeyONUQWCUUXTXWKF-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.54
Rot. Bonds3

About [4-(2-hydroxypropyl)piperazin-1-yl] acetate

[4-(2-hydroxypropyl)piperazin-1-yl] acetate (PubChem CID 70499003) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is [4-(2-hydroxypropyl)piperazin-1-yl] acetate.

Molecular Properties

Compound Name[4-(2-hydroxypropyl)piperazin-1-yl] acetate
PubChem CID70499003
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name[4-(2-hydroxypropyl)piperazin-1-yl] acetate
SMILESCC(=O)ON1CCN(CC(C)O)CC1
InChIInChI=1S/C9H18N2O3/c1-8(12)7-10-3-5-11(6-4-10)14-9(2)13/h8,12H,3-7H2,1-2H3
InChIKeyONUQWCUUXTXWKF-UHFFFAOYSA-N
XLogP-0.54
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
2-[7-(carboxymethyl)-4,10-bis(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 15798973
1-[10-(2-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propan-2-ol
CID 18413085
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
1-(4-ethoxypiperazin-1-yl)propan-2-ol;sulfuric acid
CID 159209648
calcium;tris(2-[4,7-bis(carboxymethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid);gadolinium(2+);gadolinium(3+)
CID 163448358
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-methoxyethanone
CID 95606801
1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-methoxyethanone
CID 56802428
2-[4,8-bis(carboxymethyl)-11-(2-hydroxypropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 91490050
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl] acetate?
The IUPAC name of [4-(2-hydroxypropyl)piperazin-1-yl] acetate (CID 70499003) is [4-(2-hydroxypropyl)piperazin-1-yl] acetate.
What is the SMILES notation for [4-(2-hydroxypropyl)piperazin-1-yl] acetate?
The canonical SMILES for [4-(2-hydroxypropyl)piperazin-1-yl] acetate is CC(=O)ON1CCN(CC(C)O)CC1.
What is the InChIKey of [4-(2-hydroxypropyl)piperazin-1-yl] acetate?
The InChIKey is ONUQWCUUXTXWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-8(12)7-10-3-5-11(6-4-10)14-9(2)13/h8,12H,3-7H2,1-2H3.
What are the key properties of [4-(2-hydroxypropyl)piperazin-1-yl] acetate?
[4-(2-hydroxypropyl)piperazin-1-yl] acetate has a molecular weight of 202.25 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropyl)piperazin-1-yl] acetate is sourced from PubChem (CID 70499003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).