1-phenanthren-9-yl-4-phenylpiperazine

C24H22N2 — CID 101487522

IUPAC1-phenanthren-9-yl-4-phenylpiperazine
SMILESc1ccc(N2CCN(c3cc4ccccc4c4ccccc34)CC2)cc1
InChIInChI=1S/C24H22N2/c1-2-9-20(10-3-1)25-14-16-26(17-15-25)24-18-19-8-4-5-11-21(19)22-12-6-7-13-23(22)24/h1-13,18H,14-17H2
InChIKeyWBCAJSJPOQCLHC-UHFFFAOYSA-N
MW338.45 g/mol
LogP5.32
Rot. Bonds2

About 1-phenanthren-9-yl-4-phenylpiperazine

1-phenanthren-9-yl-4-phenylpiperazine (PubChem CID 101487522) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-phenanthren-9-yl-4-phenylpiperazine.

Molecular Properties

Compound Name1-phenanthren-9-yl-4-phenylpiperazine
PubChem CID101487522
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name1-phenanthren-9-yl-4-phenylpiperazine
SMILESc1ccc(N2CCN(c3cc4ccccc4c4ccccc34)CC2)cc1
InChIInChI=1S/C24H22N2/c1-2-9-20(10-3-1)25-14-16-26(17-15-25)24-18-19-8-4-5-11-21(19)22-12-6-7-13-23(22)24/h1-13,18H,14-17H2
InChIKeyWBCAJSJPOQCLHC-UHFFFAOYSA-N
XLogP5.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[4-(2-phenylethyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 3044295
1-phenanthren-1-ylpyrrolidine
CID 138533599
1-fluoro-4-phenylpiperazine
CID 23450926
4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)-N-phenylpiperazine-1-carboxamide
CID 3044286
5-chloro-2-(4-phenylpiperazin-1-yl)benzaldehyde
CID 114843841
4-[4-(4-chlorophenyl)piperazin-1-yl]benzo[h]chromen-2-one
CID 155513549
N,N-dimethyl-4-(2-oxo-9-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperazine-1-carboxamide
CID 3044285
ethane;4-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-nitrosonaphthalen-2-ol
CID 90725026
1-[5-chloro-2-(chloromethyl)phenyl]-4-phenylpiperazine
CID 114846295
4-fluoro-3-(4-phenylpiperazin-1-yl)benzoic acid
CID 82537634
3-fluoro-4-(4-phenylpiperazin-1-yl)benzoic acid
CID 43826185
7-chloro-4-(4-phenylpiperazin-1-yl)quinolin-1-ium
CID 7786020

Frequently Asked Questions

What is the IUPAC name of 1-phenanthren-9-yl-4-phenylpiperazine?
The IUPAC name of 1-phenanthren-9-yl-4-phenylpiperazine (CID 101487522) is 1-phenanthren-9-yl-4-phenylpiperazine.
What is the SMILES notation for 1-phenanthren-9-yl-4-phenylpiperazine?
The canonical SMILES for 1-phenanthren-9-yl-4-phenylpiperazine is c1ccc(N2CCN(c3cc4ccccc4c4ccccc34)CC2)cc1.
What is the InChIKey of 1-phenanthren-9-yl-4-phenylpiperazine?
The InChIKey is WBCAJSJPOQCLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-2-9-20(10-3-1)25-14-16-26(17-15-25)24-18-19-8-4-5-11-21(19)22-12-6-7-13-23(22)24/h1-13,18H,14-17H2.
What are the key properties of 1-phenanthren-9-yl-4-phenylpiperazine?
1-phenanthren-9-yl-4-phenylpiperazine has a molecular weight of 338.45 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenanthren-9-yl-4-phenylpiperazine is sourced from PubChem (CID 101487522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).