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

C9H20N2O — CID 2759304

IUPAC4-(4-methylpiperazin-1-yl)butan-1-ol
SMILESCN1CCN(CCCCO)CC1
InChIInChI=1S/C9H20N2O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h12H,2-9H2,1H3
InChIKeyGSFOUKVQYFLTRA-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.01
Rot. Bonds4

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

4-(4-methylpiperazin-1-yl)butan-1-ol (PubChem CID 2759304) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)butan-1-ol
PubChem CID2759304
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-(4-methylpiperazin-1-yl)butan-1-ol
SMILESCN1CCN(CCCCO)CC1
InChIInChI=1S/C9H20N2O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h12H,2-9H2,1H3
InChIKeyGSFOUKVQYFLTRA-UHFFFAOYSA-N
XLogP0.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)butan-1-ol?
The IUPAC name of 4-(4-methylpiperazin-1-yl)butan-1-ol (CID 2759304) is 4-(4-methylpiperazin-1-yl)butan-1-ol.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)butan-1-ol?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)butan-1-ol is CN1CCN(CCCCO)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)butan-1-ol?
The InChIKey is GSFOUKVQYFLTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h12H,2-9H2,1H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)butan-1-ol?
4-(4-methylpiperazin-1-yl)butan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)butan-1-ol is sourced from PubChem (CID 2759304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).