2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C17H34N4O3 — CID 95388910

IUPAC2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(C)OC[C@H](O)CN1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N4O3/c1-15(2)24-14-16(22)12-19-6-8-20(9-7-19)13-17(23)21-10-4-18(3)5-11-21/h15-16,22H,4-14H2,1-3H3/t16-/m1/s1
InChIKeyHLJWBYMYOLTPFB-MRXNPFEDSA-N
MW342.48 g/mol
LogP-0.84
Rot. Bonds7

About 2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 95388910) has the molecular formula C17H34N4O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID95388910
Molecular FormulaC17H34N4O3
Molecular Weight342.48 g/mol
Exact Mass342.26
IUPAC Name2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(C)OC[C@H](O)CN1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C17H34N4O3/c1-15(2)24-14-16(22)12-19-6-8-20(9-7-19)13-17(23)21-10-4-18(3)5-11-21/h15-16,22H,4-14H2,1-3H3/t16-/m1/s1
InChIKeyHLJWBYMYOLTPFB-MRXNPFEDSA-N
XLogP-0.84
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 78820436
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
1-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]-1,4-diazepan-1-yl]ethanone
CID 95357999
1-(4-methylpiperazin-1-yl)-2-[4-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 170569122
N-ethyl-2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]acetamide
CID 78849332
2-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]propanoic acid
CID 63989269
2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371299
2-(2-fluorophenyl)-1-[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 110908152
1-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]propan-1-one
CID 110923003
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472
[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 78849337

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 95388910) is 2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CC(C)OC[C@H](O)CN1CCN(CC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is HLJWBYMYOLTPFB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H34N4O3/c1-15(2)24-14-16(22)12-19-6-8-20(9-7-19)13-17(23)21-10-4-18(3)5-11-21/h15-16,22H,4-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 342.48 g/mol, XLogP of -0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 95388910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).