4-[(4-phenylpiperazin-1-yl)methyl]phenol

C17H20N2O — CID 763468

IUPAC4-[(4-phenylpiperazin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20N2O/c20-17-8-6-15(7-9-17)14-18-10-12-19(13-11-18)16-4-2-1-3-5-16/h1-9,20H,10-14H2
InChIKeyKFFAXWKHIJAKRD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.71
Rot. Bonds3

About 4-[(4-phenylpiperazin-1-yl)methyl]phenol

4-[(4-phenylpiperazin-1-yl)methyl]phenol (PubChem CID 763468) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[(4-phenylpiperazin-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-phenylpiperazin-1-yl)methyl]phenol
PubChem CID763468
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-[(4-phenylpiperazin-1-yl)methyl]phenol
SMILESOc1ccc(CN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C17H20N2O/c20-17-8-6-15(7-9-17)14-18-10-12-19(13-11-18)16-4-2-1-3-5-16/h1-9,20H,10-14H2
InChIKeyKFFAXWKHIJAKRD-UHFFFAOYSA-N
XLogP2.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenylpiperazin-1-yl)methyl]phenol?
The IUPAC name of 4-[(4-phenylpiperazin-1-yl)methyl]phenol (CID 763468) is 4-[(4-phenylpiperazin-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(4-phenylpiperazin-1-yl)methyl]phenol?
The canonical SMILES for 4-[(4-phenylpiperazin-1-yl)methyl]phenol is Oc1ccc(CN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-phenylpiperazin-1-yl)methyl]phenol?
The InChIKey is KFFAXWKHIJAKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17-8-6-15(7-9-17)14-18-10-12-19(13-11-18)16-4-2-1-3-5-16/h1-9,20H,10-14H2.
What are the key properties of 4-[(4-phenylpiperazin-1-yl)methyl]phenol?
4-[(4-phenylpiperazin-1-yl)methyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenylpiperazin-1-yl)methyl]phenol is sourced from PubChem (CID 763468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).