1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine

C21H22F2N2 — CID 171177675

IUPAC1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine
SMILESFC(F)C[C@H](c1cc2ccccc2c2ccccc12)N1CCNCC1
InChIInChI=1S/C21H22F2N2/c22-21(23)14-20(25-11-9-24-10-12-25)19-13-15-5-1-2-6-16(15)17-7-3-4-8-18(17)19/h1-8,13,20-21,24H,9-12,14H2/t20-/m1/s1
InChIKeyBAOYOOBQWMQTEK-HXUWFJFHSA-N
MW340.42 g/mol
LogP4.59
Rot. Bonds4

About 1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine

1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine (PubChem CID 171177675) has the molecular formula C21H22F2N2 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine
PubChem CID171177675
Molecular FormulaC21H22F2N2
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine
SMILESFC(F)C[C@H](c1cc2ccccc2c2ccccc12)N1CCNCC1
InChIInChI=1S/C21H22F2N2/c22-21(23)14-20(25-11-9-24-10-12-25)19-13-15-5-1-2-6-16(15)17-7-3-4-8-18(17)19/h1-8,13,20-21,24H,9-12,14H2/t20-/m1/s1
InChIKeyBAOYOOBQWMQTEK-HXUWFJFHSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine;hydrochloride
CID 171177676
1-[(1S)-3-fluoro-1-phenanthren-9-ylpropyl]piperazine;hydrochloride
CID 171167260
1-[(1S)-4-methyl-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171310434
1-[(1S)-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171309540
1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
CID 171180290
1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine
CID 171177405
1-[(1S)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine;hydrochloride
CID 171180808
1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
CID 171175433
1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171174919
1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride
CID 171181642
1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171176451
2-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]benzene-1,4-diol
CID 171178775

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine?
The IUPAC name of 1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine (CID 171177675) is 1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine.
What is the SMILES notation for 1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine?
The canonical SMILES for 1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine is FC(F)C[C@H](c1cc2ccccc2c2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine?
The InChIKey is BAOYOOBQWMQTEK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22F2N2/c22-21(23)14-20(25-11-9-24-10-12-25)19-13-15-5-1-2-6-16(15)17-7-3-4-8-18(17)19/h1-8,13,20-21,24H,9-12,14H2/t20-/m1/s1.
What are the key properties of 1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine?
1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine has a molecular weight of 340.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine is sourced from PubChem (CID 171177675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).