4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol

C10H22N2O2 — CID 117236714

IUPAC4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol
SMILESCOCCC(O)CN1CCN(C)CC1
InChIInChI=1S/C10H22N2O2/c1-11-4-6-12(7-5-11)9-10(13)3-8-14-2/h10,13H,3-9H2,1-2H3
InChIKeyKPIZOICPZNOFMX-UHFFFAOYSA-N
MW202.30 g/mol
LogP-0.37
Rot. Bonds5

About 4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol

4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol (PubChem CID 117236714) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol
PubChem CID117236714
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol
SMILESCOCCC(O)CN1CCN(C)CC1
InChIInChI=1S/C10H22N2O2/c1-11-4-6-12(7-5-11)9-10(13)3-8-14-2/h10,13H,3-9H2,1-2H3
InChIKeyKPIZOICPZNOFMX-UHFFFAOYSA-N
XLogP-0.37
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxy-3-methoxypropyl)piperazin-1-yl]-3-methoxypropan-2-ol
CID 13310876
1-aminooxy-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 13273131
1-[4-methoxy-1-[4-(1-methylazetidin-3-yl)piperazin-1-yl]butan-2-yl]-4-methylpiperazine
CID 167009766
(2R)-1-(methylamino)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 810604
(2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide
CID 129298588
methyl 3-[4-[2-hydroxy-3-(2-methoxyethoxy)propyl]piperazin-1-yl]propanoate
CID 106992894
1-(4-propylpiperazin-1-yl)pentan-2-ol
CID 62043435
(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 113317417
1-[(5R)-5-ethyl-7-methoxyheptyl]-4-methylpiperazine
CID 118890200
1-(4-methyl-1,4-diazepan-1-yl)-3-propan-2-yloxypropan-2-ol
CID 53369436
1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
CID 162764220

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol (CID 117236714) is 4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol is COCCC(O)CN1CCN(C)CC1.
What is the InChIKey of 4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol?
The InChIKey is KPIZOICPZNOFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-11-4-6-12(7-5-11)9-10(13)3-8-14-2/h10,13H,3-9H2,1-2H3.
What are the key properties of 4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol?
4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol has a molecular weight of 202.30 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 117236714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).