(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone

C17H26N2O2 — CID 70707815

IUPAC(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(O)c(C)c2)CCN1C(C)C
InChIInChI=1S/C17H26N2O2/c1-5-15-11-18(8-9-19(15)12(2)3)17(21)14-6-7-16(20)13(4)10-14/h6-7,10,12,15,20H,5,8-9,11H2,1-4H3
InChIKeyXUYGVPKRDOUXAF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds3

About (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone

(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone (PubChem CID 70707815) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
PubChem CID70707815
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone
SMILESCCC1CN(C(=O)c2ccc(O)c(C)c2)CCN1C(C)C
InChIInChI=1S/C17H26N2O2/c1-5-15-11-18(8-9-19(15)12(2)3)17(21)14-6-7-16(20)13(4)10-14/h6-7,10,12,15,20H,5,8-9,11H2,1-4H3
InChIKeyXUYGVPKRDOUXAF-UHFFFAOYSA-N
XLogP2.65
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The IUPAC name of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone (CID 70707815) is (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone.
What is the SMILES notation for (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The canonical SMILES for (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone is CCC1CN(C(=O)c2ccc(O)c(C)c2)CCN1C(C)C.
What is the InChIKey of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
The InChIKey is XUYGVPKRDOUXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-15-11-18(8-9-19(15)12(2)3)17(21)14-6-7-16(20)13(4)10-14/h6-7,10,12,15,20H,5,8-9,11H2,1-4H3.
What are the key properties of (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone?
(3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-propan-2-ylpiperazin-1-yl)-(4-hydroxy-3-methylphenyl)methanone is sourced from PubChem (CID 70707815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).