1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol

C11H25N3O — CID 114496600

IUPAC1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCN(C)CC1CN
InChIInChI=1S/C11H25N3O/c1-4-11(2,15)9-14-6-5-13(3)8-10(14)7-12/h10,15H,4-9,12H2,1-3H3
InChIKeySRIPMVKHNBMZJI-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.28
Rot. Bonds4

About 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol

1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol (PubChem CID 114496600) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol
PubChem CID114496600
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN1CCN(C)CC1CN
InChIInChI=1S/C11H25N3O/c1-4-11(2,15)9-14-6-5-13(3)8-10(14)7-12/h10,15H,4-9,12H2,1-3H3
InChIKeySRIPMVKHNBMZJI-UHFFFAOYSA-N
XLogP-0.28
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-1-pentylpiperazin-2-yl)methanamine
CID 80504437
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
[4-methyl-1-(2-methylbutyl)piperazin-2-yl]methanamine
CID 80504638
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
CID 80507212
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 114496411
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351
methyl 3-[2-(aminomethyl)-4-methylpiperazin-1-yl]propanoate
CID 80506811
[1-(2,3-dichloroprop-2-enyl)-4-methylpiperazin-2-yl]methanamine
CID 80506182
N-[2-[2-(aminomethyl)-4-methylpiperazin-1-yl]ethyl]acetamide
CID 80507319
4-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505171
2-[[2-(aminomethyl)-4-methylpiperazin-1-yl]methyl]phenol
CID 80505653
[1-(1-amino-2-methylpropan-2-yl)-4-methylpiperazin-2-yl]methanol
CID 83819424

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol (CID 114496600) is 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol is CCC(C)(O)CN1CCN(C)CC1CN.
What is the InChIKey of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol?
The InChIKey is SRIPMVKHNBMZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-11(2,15)9-14-6-5-13(3)8-10(14)7-12/h10,15H,4-9,12H2,1-3H3.
What are the key properties of 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol?
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol has a molecular weight of 215.34 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 114496600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).