2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol

C20H26N2O — CID 10662763

IUPAC2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C20H26N2O/c1-20(2,23)18-10-8-17(9-11-18)19(16-6-4-3-5-7-16)22-14-12-21-13-15-22/h3-11,19,21,23H,12-15H2,1-2H3
InChIKeyBPZXOJUWYYKDHB-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.91
Rot. Bonds4

About 2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol

2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol (PubChem CID 10662763) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol
PubChem CID10662763
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C20H26N2O/c1-20(2,23)18-10-8-17(9-11-18)19(16-6-4-3-5-7-16)22-14-12-21-13-15-22/h3-11,19,21,23H,12-15H2,1-2H3
InChIKeyBPZXOJUWYYKDHB-UHFFFAOYSA-N
XLogP2.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol (CID 10662763) is 2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol is CC(C)(O)c1ccc(C(c2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of 2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol?
The InChIKey is BPZXOJUWYYKDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-20(2,23)18-10-8-17(9-11-18)19(16-6-4-3-5-7-16)22-14-12-21-13-15-22/h3-11,19,21,23H,12-15H2,1-2H3.
What are the key properties of 2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol?
2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol has a molecular weight of 310.44 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[phenyl(piperazin-1-yl)methyl]phenyl]propan-2-ol is sourced from PubChem (CID 10662763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).