7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C19H23N3 — CID 82582743

IUPAC7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(N2CCN(c3ccc4c(c3)CNCC4)CC2)cc1
InChIInChI=1S/C19H23N3/c1-2-4-18(5-3-1)21-10-12-22(13-11-21)19-7-6-16-8-9-20-15-17(16)14-19/h1-7,14,20H,8-13,15H2
InChIKeyPEEZGTQFAUREAZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.66
Rot. Bonds2

About 7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82582743) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID82582743
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(N2CCN(c3ccc4c(c3)CNCC4)CC2)cc1
InChIInChI=1S/C19H23N3/c1-2-4-18(5-3-1)21-10-12-22(13-11-21)19-7-6-16-8-9-20-15-17(16)14-19/h1-7,14,20H,8-13,15H2
InChIKeyPEEZGTQFAUREAZ-UHFFFAOYSA-N
XLogP2.66
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 82582743) is 7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is c1ccc(N2CCN(c3ccc4c(c3)CNCC4)CC2)cc1.
What is the InChIKey of 7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PEEZGTQFAUREAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-2-4-18(5-3-1)21-10-12-22(13-11-21)19-7-6-16-8-9-20-15-17(16)14-19/h1-7,14,20H,8-13,15H2.
What are the key properties of 7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 293.41 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82582743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).