2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol

C28H34N2O2 — CID 10598748

IUPAC2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol
SMILESOc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H34N2O2/c31-27-16-8-7-10-24(27)15-9-17-29-18-20-30(21-19-29)22-23-32-28(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-14,16,28,31H,9,15,17-23H2
InChIKeyPAAMYZUEZPKVNY-UHFFFAOYSA-N
MW430.59 g/mol
LogP4.75
Rot. Bonds10

About 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol

2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol (PubChem CID 10598748) has the molecular formula C28H34N2O2 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol.

Molecular Properties

Compound Name2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol
PubChem CID10598748
Molecular FormulaC28H34N2O2
Molecular Weight430.59 g/mol
Exact Mass430.26
IUPAC Name2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol
SMILESOc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C28H34N2O2/c31-27-16-8-7-10-24(27)15-9-17-29-18-20-30(21-19-29)22-23-32-28(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-14,16,28,31H,9,15,17-23H2
InChIKeyPAAMYZUEZPKVNY-UHFFFAOYSA-N
XLogP4.75
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol?
The IUPAC name of 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol (CID 10598748) is 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol.
What is the SMILES notation for 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol?
The canonical SMILES for 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol is Oc1ccccc1CCCN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol?
The InChIKey is PAAMYZUEZPKVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O2/c31-27-16-8-7-10-24(27)15-9-17-29-18-20-30(21-19-29)22-23-32-28(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-14,16,28,31H,9,15,17-23H2.
What are the key properties of 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol?
2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol has a molecular weight of 430.59 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-benzhydryloxyethyl)piperazin-1-yl]propyl]phenol is sourced from PubChem (CID 10598748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).