3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol

C8H20N4O — CID 104711122

IUPAC3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol
SMILESCN1CCN(NC(CN)CO)CC1
InChIInChI=1S/C8H20N4O/c1-11-2-4-12(5-3-11)10-8(6-9)7-13/h8,10,13H,2-7,9H2,1H3
InChIKeyHZJQILYRLXUHGA-UHFFFAOYSA-N
MW188.27 g/mol
LogP-1.94
Rot. Bonds4

About 3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol

3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol (PubChem CID 104711122) has the molecular formula C8H20N4O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol
PubChem CID104711122
Molecular FormulaC8H20N4O
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol
SMILESCN1CCN(NC(CN)CO)CC1
InChIInChI=1S/C8H20N4O/c1-11-2-4-12(5-3-11)10-8(6-9)7-13/h8,10,13H,2-7,9H2,1H3
InChIKeyHZJQILYRLXUHGA-UHFFFAOYSA-N
XLogP-1.94
TPSA64.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-methylpiperazin-1-yl)butane-1,2-diamine
CID 83011257
2-N-(4-methylpiperazin-1-yl)-3-phenylpropane-1,2-diamine
CID 83011355
2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
CID 83010931
N-(4-methylpiperazin-1-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 83010621
4-methyl-N-(4-methylpentan-2-yl)piperazin-1-amine
CID 83010481
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078
2-(ethylamino)-4-(4-methylpiperazin-1-yl)butan-1-ol
CID 64797363
1-(5-bromofuran-2-yl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011979
1-(3-methylcyclohexyl)-N-(4-methylpiperazin-1-yl)ethane-1,2-diamine
CID 83011867
N-(4-methylpiperazin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 83011013
N-(4-methylpiperazin-1-yl)-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 83010902
4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine
CID 106675790

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol?
The IUPAC name of 3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol (CID 104711122) is 3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol.
What is the SMILES notation for 3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol?
The canonical SMILES for 3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol is CN1CCN(NC(CN)CO)CC1.
What is the InChIKey of 3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol?
The InChIKey is HZJQILYRLXUHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O/c1-11-2-4-12(5-3-11)10-8(6-9)7-13/h8,10,13H,2-7,9H2,1H3.
What are the key properties of 3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol?
3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol has a molecular weight of 188.27 g/mol, XLogP of -1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(4-methylpiperazin-1-yl)amino]propan-1-ol is sourced from PubChem (CID 104711122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).