1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol

C15H22N2O — CID 117368545

IUPAC1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCN1CCN(c2cccc(CC3(O)CC3)c2)CC1
InChIInChI=1S/C15H22N2O/c1-16-7-9-17(10-8-16)14-4-2-3-13(11-14)12-15(18)5-6-15/h2-4,11,18H,5-10,12H2,1H3
InChIKeyWEHQMKFWXQGOBE-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.51
Rot. Bonds3

About 1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol

1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117368545) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
PubChem CID117368545
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol
SMILESCN1CCN(c2cccc(CC3(O)CC3)c2)CC1
InChIInChI=1S/C15H22N2O/c1-16-7-9-17(10-8-16)14-4-2-3-13(11-14)12-15(18)5-6-15/h2-4,11,18H,5-10,12H2,1H3
InChIKeyWEHQMKFWXQGOBE-UHFFFAOYSA-N
XLogP1.51
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol (CID 117368545) is 1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol is CN1CCN(c2cccc(CC3(O)CC3)c2)CC1.
What is the InChIKey of 1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is WEHQMKFWXQGOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-7-9-17(10-8-16)14-4-2-3-13(11-14)12-15(18)5-6-15/h2-4,11,18H,5-10,12H2,1H3.
What are the key properties of 1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol?
1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-methylpiperazin-1-yl)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117368545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).