(4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone

C12H16N2O2 — CID 4740811

IUPAC(4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(15)5-3-10/h2-5,15H,6-9H2,1H3
InChIKeyNGNUDVSZXGEJKN-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.78
Rot. Bonds1

About (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone

(4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 4740811) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
PubChem CID4740811
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(15)5-3-10/h2-5,15H,6-9H2,1H3
InChIKeyNGNUDVSZXGEJKN-UHFFFAOYSA-N
XLogP0.78
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone (CID 4740811) is (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NGNUDVSZXGEJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-6-8-14(9-7-13)12(16)10-2-4-11(15)5-3-10/h2-5,15H,6-9H2,1H3.
What are the key properties of (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone?
(4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 220.27 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 4740811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).