3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol

C11H20N2O — CID 123259349

IUPAC3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol
SMILESCN1CCN(C2C(O)C3CCC32)CC1
InChIInChI=1S/C11H20N2O/c1-12-4-6-13(7-5-12)10-8-2-3-9(8)11(10)14/h8-11,14H,2-7H2,1H3
InChIKeyFZZMTTIQNVDLSW-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.00
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol

3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol (PubChem CID 123259349) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol
PubChem CID123259349
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol
SMILESCN1CCN(C2C(O)C3CCC32)CC1
InChIInChI=1S/C11H20N2O/c1-12-4-6-13(7-5-12)10-8-2-3-9(8)11(10)14/h8-11,14H,2-7H2,1H3
InChIKeyFZZMTTIQNVDLSW-UHFFFAOYSA-N
XLogP0.00
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol?
The IUPAC name of 3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol (CID 123259349) is 3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol is CN1CCN(C2C(O)C3CCC32)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol?
The InChIKey is FZZMTTIQNVDLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-4-6-13(7-5-12)10-8-2-3-9(8)11(10)14/h8-11,14H,2-7H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol?
3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)bicyclo[2.2.0]hexan-2-ol is sourced from PubChem (CID 123259349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).