(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone

C17H17FN2O — CID 94997806

IUPAC(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C17H17FN2O/c18-15-8-4-7-14(11-15)17(21)20-10-9-19-12-16(20)13-5-2-1-3-6-13/h1-8,11,16,19H,9-10,12H2/t16-/m0/s1
InChIKeyKWJVIWSVESMIRR-INIZCTEOSA-N
MW284.33 g/mol
LogP2.61
Rot. Bonds2

About (3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone

(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone (PubChem CID 94997806) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
PubChem CID94997806
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCNC[C@H]1c1ccccc1
InChIInChI=1S/C17H17FN2O/c18-15-8-4-7-14(11-15)17(21)20-10-9-19-12-16(20)13-5-2-1-3-6-13/h1-8,11,16,19H,9-10,12H2/t16-/m0/s1
InChIKeyKWJVIWSVESMIRR-INIZCTEOSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-fluorobenzoyl)piperazin-2-yl]-N-methylbenzamide;hydrochloride
CID 118741941
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
(3-fluorophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672072
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
(3-fluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone;hydrochloride
CID 68757495
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120736025
(3-methylphenyl)-(2-phenyl-1,4-diazepan-1-yl)methanone
CID 82251312
[2-(3-fluorophenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120736351

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone (CID 94997806) is (3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCNC[C@H]1c1ccccc1.
What is the InChIKey of (3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
The InChIKey is KWJVIWSVESMIRR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-15-8-4-7-14(11-15)17(21)20-10-9-19-12-16(20)13-5-2-1-3-6-13/h1-8,11,16,19H,9-10,12H2/t16-/m0/s1.
What are the key properties of (3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone has a molecular weight of 284.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 94997806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).