2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol

C9H20N2O — CID 65447735

IUPAC2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol
SMILESCC1CN(CC(C)(C)O)CCN1
InChIInChI=1S/C9H20N2O/c1-8-6-11(5-4-10-8)7-9(2,3)12/h8,10,12H,4-7H2,1-3H3
InChIKeyOIQQKFXQWQDNNL-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.05
Rot. Bonds2

About 2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol

2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol (PubChem CID 65447735) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol
PubChem CID65447735
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol
SMILESCC1CN(CC(C)(C)O)CCN1
InChIInChI=1S/C9H20N2O/c1-8-6-11(5-4-10-8)7-9(2,3)12/h8,10,12H,4-7H2,1-3H3
InChIKeyOIQQKFXQWQDNNL-UHFFFAOYSA-N
XLogP0.05
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol (CID 65447735) is 2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol is CC1CN(CC(C)(C)O)CCN1.
What is the InChIKey of 2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is OIQQKFXQWQDNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8-6-11(5-4-10-8)7-9(2,3)12/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol?
2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 65447735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).