3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol

C11H22N2O — CID 131995213

IUPAC3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol
SMILESC=C(CC)C(O)CN1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-4-10(2)11(14)9-13-7-5-12(3)6-8-13/h11,14H,2,4-9H2,1,3H3
InChIKeyWGOQRMLISOVSGW-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.56
Rot. Bonds4

About 3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol

3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol (PubChem CID 131995213) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol.

Molecular Properties

Compound Name3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol
PubChem CID131995213
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol
SMILESC=C(CC)C(O)CN1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-4-10(2)11(14)9-13-7-5-12(3)6-8-13/h11,14H,2,4-9H2,1,3H3
InChIKeyWGOQRMLISOVSGW-UHFFFAOYSA-N
XLogP0.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol?
The IUPAC name of 3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol (CID 131995213) is 3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol.
What is the SMILES notation for 3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol?
The canonical SMILES for 3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol is C=C(CC)C(O)CN1CCN(C)CC1.
What is the InChIKey of 3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol?
The InChIKey is WGOQRMLISOVSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-10(2)11(14)9-13-7-5-12(3)6-8-13/h11,14H,2,4-9H2,1,3H3.
What are the key properties of 3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol?
3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol has a molecular weight of 198.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(4-methylpiperazin-1-yl)pentan-2-ol is sourced from PubChem (CID 131995213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).