(3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

C19H20BrFN2O — CID 55706709

IUPAC(3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H20BrFN2O/c20-17-12-16(13-18(21)14-17)19(24)23-10-8-22(9-11-23)7-6-15-4-2-1-3-5-15/h1-5,12-14H,6-11H2
InChIKeyAFECMQBDPSCXFU-UHFFFAOYSA-N
MW391.28 g/mol
LogP3.59
Rot. Bonds4

About (3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone

(3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (PubChem CID 55706709) has the molecular formula C19H20BrFN2O and a molecular weight of 391.28 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
PubChem CID55706709
Molecular FormulaC19H20BrFN2O
Molecular Weight391.28 g/mol
Exact Mass390.07
IUPAC Name(3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)cc(Br)c1)N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C19H20BrFN2O/c20-17-12-16(13-18(21)14-17)19(24)23-10-8-22(9-11-23)7-6-15-4-2-1-3-5-15/h1-5,12-14H,6-11H2
InChIKeyAFECMQBDPSCXFU-UHFFFAOYSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-fluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308549
(3-bromo-5-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46471336
(3-bromo-5-fluorophenyl)-[4-(2,2-dimethylpropyl)piperazin-1-yl]methanone
CID 110629427
[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46472827
(3,4-dimethoxyphenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 22107891
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
(4-bromophenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 113074261
N-[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]acetamide
CID 41418625
(3-fluorophenyl)-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 110412308
4-(3-bromo-5-fluorobenzoyl)piperazine-1-sulfonamide
CID 61131092
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
[4-[4-(2-phenylethyl)piperazine-1-carbonyl]phenyl]urea
CID 134011762

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone (CID 55706709) is (3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is O=C(c1cc(F)cc(Br)c1)N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
The InChIKey is AFECMQBDPSCXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O/c20-17-12-16(13-18(21)14-17)19(24)23-10-8-22(9-11-23)7-6-15-4-2-1-3-5-15/h1-5,12-14H,6-11H2.
What are the key properties of (3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone?
(3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone has a molecular weight of 391.28 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-[4-(2-phenylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55706709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).