1-(4-methylpiperazin-1-yl)-2-phenylethanol

C13H20N2O — CID 173220641

IUPAC1-(4-methylpiperazin-1-yl)-2-phenylethanol
SMILESCN1CCN(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O/c1-14-7-9-15(10-8-14)13(16)11-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3
InChIKeyODOLDYXMHDKFBT-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.79
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-phenylethanol

1-(4-methylpiperazin-1-yl)-2-phenylethanol (PubChem CID 173220641) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-phenylethanol
PubChem CID173220641
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(4-methylpiperazin-1-yl)-2-phenylethanol
SMILESCN1CCN(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2O/c1-14-7-9-15(10-8-14)13(16)11-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3
InChIKeyODOLDYXMHDKFBT-UHFFFAOYSA-N
XLogP0.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 70255948
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1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
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(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
4-methyl-N-[(2R)-1-phenylpropan-2-yl]piperazin-1-amine
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CID 90922002
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide
CID 110404077
(2R)-1-[4-[(2R)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]-3-phenylpropan-2-ol
CID 92573641
1-[(1-methylpiperidin-4-yl)amino]-3-phenylpropan-2-ol
CID 111755497
3,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]butanamide
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CID 6726
1-methyl-4-(1-methylsulfanyl-2-phenylethyl)piperidine
CID 145040264

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-phenylethanol?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-phenylethanol (CID 173220641) is 1-(4-methylpiperazin-1-yl)-2-phenylethanol.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-phenylethanol?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-phenylethanol is CN1CCN(C(O)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-phenylethanol?
The InChIKey is ODOLDYXMHDKFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-7-9-15(10-8-14)13(16)11-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-phenylethanol?
1-(4-methylpiperazin-1-yl)-2-phenylethanol has a molecular weight of 220.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-phenylethanol is sourced from PubChem (CID 173220641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).