2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol

C24H34N2O3 — CID 23723280

IUPAC2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
SMILESCCOc1cccc(CN2CCN(CCCc3ccccc3)C(CCO)C2)c1O
InChIInChI=1S/C24H34N2O3/c1-2-29-23-12-6-11-21(24(23)28)18-25-15-16-26(22(19-25)13-17-27)14-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-12,22,27-28H,2,7,10,13-19H2,1H3
InChIKeyYEIYNXGJTDZSBJ-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.29
Rot. Bonds10

About 2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol

2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol (PubChem CID 23723280) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
PubChem CID23723280
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol
SMILESCCOc1cccc(CN2CCN(CCCc3ccccc3)C(CCO)C2)c1O
InChIInChI=1S/C24H34N2O3/c1-2-29-23-12-6-11-21(24(23)28)18-25-15-16-26(22(19-25)13-17-27)14-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-12,22,27-28H,2,7,10,13-19H2,1H3
InChIKeyYEIYNXGJTDZSBJ-UHFFFAOYSA-N
XLogP3.29
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol (CID 23723280) is 2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol is CCOc1cccc(CN2CCN(CCCc3ccccc3)C(CCO)C2)c1O.
What is the InChIKey of 2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol?
The InChIKey is YEIYNXGJTDZSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-2-29-23-12-6-11-21(24(23)28)18-25-15-16-26(22(19-25)13-17-27)14-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-12,22,27-28H,2,7,10,13-19H2,1H3.
What are the key properties of 2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol?
2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol has a molecular weight of 398.55 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[3-(2-hydroxyethyl)-4-(3-phenylpropyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 23723280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).