1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone

C13H24N2O3 — CID 95340624

IUPAC1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
SMILESC[C@@H](O)CN1CCN(C(=O)C[C@H]2CCCO2)CC1
InChIInChI=1S/C13H24N2O3/c1-11(16)10-14-4-6-15(7-5-14)13(17)9-12-3-2-8-18-12/h11-12,16H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyKFWBTWDCEDQTSN-VXGBXAGGSA-N
MW256.35 g/mol
LogP0.08
Rot. Bonds4

About 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone

1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone (PubChem CID 95340624) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
PubChem CID95340624
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
SMILESC[C@@H](O)CN1CCN(C(=O)C[C@H]2CCCO2)CC1
InChIInChI=1S/C13H24N2O3/c1-11(16)10-14-4-6-15(7-5-14)13(17)9-12-3-2-8-18-12/h11-12,16H,2-10H2,1H3/t11-,12-/m1/s1
InChIKeyKFWBTWDCEDQTSN-VXGBXAGGSA-N
XLogP0.08
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110629424
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124621251
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile
CID 65156463
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119260620
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95341116
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110611726
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
The IUPAC name of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone (CID 95340624) is 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone.
What is the SMILES notation for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
The canonical SMILES for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone is C[C@@H](O)CN1CCN(C(=O)C[C@H]2CCCO2)CC1.
What is the InChIKey of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
The InChIKey is KFWBTWDCEDQTSN-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(16)10-14-4-6-15(7-5-14)13(17)9-12-3-2-8-18-12/h11-12,16H,2-10H2,1H3/t11-,12-/m1/s1.
What are the key properties of 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone?
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone has a molecular weight of 256.35 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone is sourced from PubChem (CID 95340624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).