5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol

C11H24N2O — CID 63633957

IUPAC5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
SMILESCC1CN(CCCCCO)CCN1C
InChIInChI=1S/C11H24N2O/c1-11-10-13(8-7-12(11)2)6-4-3-5-9-14/h11,14H,3-10H2,1-2H3
InChIKeyRCVHQYNFRMGOOX-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.78
Rot. Bonds5

About 5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol

5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol (PubChem CID 63633957) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
PubChem CID63633957
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
SMILESCC1CN(CCCCCO)CCN1C
InChIInChI=1S/C11H24N2O/c1-11-10-13(8-7-12(11)2)6-4-3-5-9-14/h11,14H,3-10H2,1-2H3
InChIKeyRCVHQYNFRMGOOX-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.78
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 5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol?
The IUPAC name of 5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol (CID 63633957) is 5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol.
What is the SMILES notation for 5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol?
The canonical SMILES for 5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol is CC1CN(CCCCCO)CCN1C.
What is the InChIKey of 5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol?
The InChIKey is RCVHQYNFRMGOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11-10-13(8-7-12(11)2)6-4-3-5-9-14/h11,14H,3-10H2,1-2H3.
What are the key properties of 5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol?
5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol is sourced from PubChem (CID 63633957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).