1-(3,4-dimethylpiperazin-1-yl)butan-2-ol

C10H22N2O — CID 63633779

IUPAC1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCN(C)C(C)C1
InChIInChI=1S/C10H22N2O/c1-4-10(13)8-12-6-5-11(3)9(2)7-12/h9-10,13H,4-8H2,1-3H3
InChIKeyTXRYGAKPSRTEBL-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.39
Rot. Bonds3

About 1-(3,4-dimethylpiperazin-1-yl)butan-2-ol

1-(3,4-dimethylpiperazin-1-yl)butan-2-ol (PubChem CID 63633779) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
PubChem CID63633779
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
SMILESCCC(O)CN1CCN(C)C(C)C1
InChIInChI=1S/C10H22N2O/c1-4-10(13)8-12-6-5-11(3)9(2)7-12/h9-10,13H,4-8H2,1-3H3
InChIKeyTXRYGAKPSRTEBL-UHFFFAOYSA-N
XLogP0.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-amino-3-(3,4-dimethylpiperazin-1-yl)propan-2-ol
CID 130492464
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
2-[(3,4-dimethylpiperazin-1-yl)methyl]butan-1-amine
CID 65233149
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
ethane;4-ethyl-1,2-dimethylpiperazine
CID 142283351
1-[(3R)-3-methylpiperazin-1-yl]butan-2-ol
CID 104975632
1-(3,4-dimethylpiperazin-1-yl)-3-methylbutan-2-amine
CID 63621228
4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
CID 64898611
ethyl 2-amino-3-(3,4-dimethylpiperazin-1-yl)propanoate
CID 63635584
1-[4-(3-methylbutyl)piperazin-1-yl]butan-2-ol
CID 58721625
1-(2-methylmorpholin-4-yl)butan-2-ol
CID 60886313
(2R)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111487950

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)butan-2-ol?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)butan-2-ol (CID 63633779) is 1-(3,4-dimethylpiperazin-1-yl)butan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)butan-2-ol?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)butan-2-ol is CCC(O)CN1CCN(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)butan-2-ol?
The InChIKey is TXRYGAKPSRTEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-10(13)8-12-6-5-11(3)9(2)7-12/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)butan-2-ol?
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperazin-1-yl)butan-2-ol is sourced from PubChem (CID 63633779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).