3-[4-(3-phenylpropyl)piperazin-1-yl]phenol

C19H24N2O — CID 54581113

IUPAC3-[4-(3-phenylpropyl)piperazin-1-yl]phenol
SMILESOc1cccc(N2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O/c22-19-10-4-9-18(16-19)21-14-12-20(13-15-21)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,22H,5,8,11-15H2
InChIKeyWORNGLHQKRZDIL-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.15
Rot. Bonds5

About 3-[4-(3-phenylpropyl)piperazin-1-yl]phenol

3-[4-(3-phenylpropyl)piperazin-1-yl]phenol (PubChem CID 54581113) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[4-(3-phenylpropyl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name3-[4-(3-phenylpropyl)piperazin-1-yl]phenol
PubChem CID54581113
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[4-(3-phenylpropyl)piperazin-1-yl]phenol
SMILESOc1cccc(N2CCN(CCCc3ccccc3)CC2)c1
InChIInChI=1S/C19H24N2O/c22-19-10-4-9-18(16-19)21-14-12-20(13-15-21)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,22H,5,8,11-15H2
InChIKeyWORNGLHQKRZDIL-UHFFFAOYSA-N
XLogP3.15
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylpropyl)piperazin-1-yl]phenol?
The IUPAC name of 3-[4-(3-phenylpropyl)piperazin-1-yl]phenol (CID 54581113) is 3-[4-(3-phenylpropyl)piperazin-1-yl]phenol.
What is the SMILES notation for 3-[4-(3-phenylpropyl)piperazin-1-yl]phenol?
The canonical SMILES for 3-[4-(3-phenylpropyl)piperazin-1-yl]phenol is Oc1cccc(N2CCN(CCCc3ccccc3)CC2)c1.
What is the InChIKey of 3-[4-(3-phenylpropyl)piperazin-1-yl]phenol?
The InChIKey is WORNGLHQKRZDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c22-19-10-4-9-18(16-19)21-14-12-20(13-15-21)11-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,22H,5,8,11-15H2.
What are the key properties of 3-[4-(3-phenylpropyl)piperazin-1-yl]phenol?
3-[4-(3-phenylpropyl)piperazin-1-yl]phenol has a molecular weight of 296.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylpropyl)piperazin-1-yl]phenol is sourced from PubChem (CID 54581113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).