4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol

C16H21N3OP2 — CID 18738299

IUPAC4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3ccc(N(P)P)cc3)CC2)cc1
InChIInChI=1S/C16H21N3OP2/c20-16-7-5-14(6-8-16)18-11-9-17(10-12-18)13-1-3-15(4-2-13)19(21)22/h1-8,20H,9-12,21-22H2
InChIKeyDZFLFRAGUHQZQY-UHFFFAOYSA-N
MW333.31 g/mol
LogP3.11
Rot. Bonds3

About 4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol

4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol (PubChem CID 18738299) has the molecular formula C16H21N3OP2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol
PubChem CID18738299
Molecular FormulaC16H21N3OP2
Molecular Weight333.31 g/mol
Exact Mass333.12
IUPAC Name4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3ccc(N(P)P)cc3)CC2)cc1
InChIInChI=1S/C16H21N3OP2/c20-16-7-5-14(6-8-16)18-11-9-17(10-12-18)13-1-3-15(4-2-13)19(21)22/h1-8,20H,9-12,21-22H2
InChIKeyDZFLFRAGUHQZQY-UHFFFAOYSA-N
XLogP3.11
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol (CID 18738299) is 4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(c3ccc(N(P)P)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol?
The InChIKey is DZFLFRAGUHQZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OP2/c20-16-7-5-14(6-8-16)18-11-9-17(10-12-18)13-1-3-15(4-2-13)19(21)22/h1-8,20H,9-12,21-22H2.
What are the key properties of 4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol?
4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol has a molecular weight of 333.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[bis(phosphanyl)amino]phenyl]piperazin-1-yl]phenol is sourced from PubChem (CID 18738299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).