1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride

C20H22ClFN2 — CID 171181642

IUPAC1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride
SMILESCl.FC[C@H](c1c2ccccc2cc2ccccc12)N1CCNCC1
InChIInChI=1S/C20H21FN2.ClH/c21-14-19(23-11-9-22-10-12-23)20-17-7-3-1-5-15(17)13-16-6-2-4-8-18(16)20;/h1-8,13,19,22H,9-12,14H2;1H/t19-;/m1./s1
InChIKeyPTRPOXRQCXKKGN-FSRHSHDFSA-N
MW344.86 g/mol
LogP4.33
Rot. Bonds3

About 1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride

1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride (PubChem CID 171181642) has the molecular formula C20H22ClFN2 and a molecular weight of 344.86 g/mol. Its IUPAC name is 1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride
PubChem CID171181642
Molecular FormulaC20H22ClFN2
Molecular Weight344.86 g/mol
Exact Mass344.15
IUPAC Name1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride
SMILESCl.FC[C@H](c1c2ccccc2cc2ccccc12)N1CCNCC1
InChIInChI=1S/C20H21FN2.ClH/c21-14-19(23-11-9-22-10-12-23)20-17-7-3-1-5-15(17)13-16-6-2-4-8-18(16)20;/h1-8,13,19,22H,9-12,14H2;1H/t19-;/m1./s1
InChIKeyPTRPOXRQCXKKGN-FSRHSHDFSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-anthracen-9-yl-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171302275
1-[(1S)-1-anthracen-9-yl-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171302274
1-[(1S)-1-anthracen-9-yl-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171272103
1-[(1R)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171284729
1-[(1S)-1-anthracen-9-ylpent-4-enyl]piperazine;dihydrochloride
CID 171272101
1-[(1R)-1-anthracen-9-ylhexyl]piperazine;dihydrochloride
CID 171307227
1-[(1S)-3-fluoro-1-phenanthren-9-ylpropyl]piperazine;hydrochloride
CID 171167260
1-[(1R)-2-fluoro-1-phenylethyl]piperazine;dihydrochloride
CID 171282898
1-[(1S)-4-methyl-1-phenanthren-9-ylpentyl]piperazine;dihydrochloride
CID 171310434
1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine;hydrochloride
CID 171177676
1-[(1R)-2-fluoro-1-(2,3,6-trifluorophenyl)ethyl]piperazine;dihydrochloride
CID 171277668
1-[(S)-anthracen-9-yl(cyclopentyl)methyl]piperazine;dihydrochloride
CID 171272083

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride (CID 171181642) is 1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride is Cl.FC[C@H](c1c2ccccc2cc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride?
The InChIKey is PTRPOXRQCXKKGN-FSRHSHDFSA-N. The full InChI is InChI=1S/C20H21FN2.ClH/c21-14-19(23-11-9-22-10-12-23)20-17-7-3-1-5-15(17)13-16-6-2-4-8-18(16)20;/h1-8,13,19,22H,9-12,14H2;1H/t19-;/m1./s1.
What are the key properties of 1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride?
1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride has a molecular weight of 344.86 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-anthracen-9-yl-2-fluoroethyl]piperazine;hydrochloride is sourced from PubChem (CID 171181642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).